Cyclohexyl-{(S)-3-[4-hydroxy-4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid benzyl ester

HCID 501044
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Basic information

Standard SMILES
O=C(OCc1ccccc1)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1
InChIKey
MWARYVUQVJIHTP-YXWIYCFASA-N
Molecular formula
C40H52N2O3
Average molar mass
608.9 g/mol

Names & identifiers

Preferred name
Cyclohexyl-{(S)-3-[4-hydroxy-4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid benzyl ester
IUPAC
benzyl (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetate

Names & synonyms

CHEMBL101333MWARYVUQVJIHTP-YXWIYCFASA-NBDBM50119334(R)-2-Cyclohexyl-{(3S,4S)-3-[4-hydroxy-4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid benzyl ester2-(R)-(3-(S)-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-(S)-phenylpyrrolidin-1-yl)-2-(cyclohexyl)acetic acid, benzyl esterbenzyl (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]acetateCyclohexyl-{(S)-3-[4-hydroxy-4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid benzyl ester

Database identifiers

PubChem CID
501044
ChEMBL
CHEMBL101333
Nikkaji
J1.804.698I

Properties

Computed structural properties

XLogP
8.3
Topological polar surface area
53 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
13
Heavy atoms
45

Related reactions

2 records
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Compound notes

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