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(4R)-N-[(1R,3S)-3-(Ethoxymethyl)-3-(4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-ylcarbonyl)cyclopentyl]-3-methyltetrahydro-2H-pyran-4-amine

HCID 68596221
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Basic information

Standard SMILES
CCOC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@@H]2CCOCC2C)C1
InChIKey
CMBVRKMLOBDWKC-OQOBIIDESA-N
Molecular formula
C25H37F3N4O3
Average molar mass
498.6 g/mol

Names & identifiers

Preferred name
(4R)-N-[(1R,3S)-3-(Ethoxymethyl)-3-(4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-ylcarbonyl)cyclopentyl]-3-methyltetrahydro-2H-pyran-4-amine
IUPAC
[(1S,3R)-1-(ethoxymethyl)-3-[[(4R)-3-methyloxan-4-yl]amino]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

Names & synonyms

(4R)-N-[(1R,3S)-3-(Ethoxymethyl)-3-(4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-ylcarbonyl)cyclopentyl]-3-methyltetrahydro-2H-pyran-4-amineSCHEMBL3324603

Database identifiers

PubChem CID
68596221

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
66.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
35
Formal charge
0
Complexity
704

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Related reactions

2 records
New reaction record
HRID 270612 reaction equation
HRID 270612As productuspto-grants-2008_11
HRID 1261699 reaction equation
HRID 1261699As productuspto-grants-2013_06

Compound notes

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