N-(4-(4-hydroxypiperidin-1-yl)-phenyl)-4-((1-methylpyrrol-2-yl)-carbonyl)-1-piperazinecarboxamide

HCID 46911245

Notes Reactions

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Basic information

Standard SMILES: Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(O)CC3)cc2)CC1
InChIKey: MCIXIOJTXYAIBD-UHFFFAOYSA-N
Molecular formula: C22H29N5O3
Average molar mass: 411.5 g/mol
Monoisotopic mass: 411.2270398

Names & identifiers

Preferred name: N-(4-(4-hydroxypiperidin-1-yl)-phenyl)-4-((1-methylpyrrol-2-yl)-carbonyl)-1-piperazinecarboxamide
IUPAC: N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide

Names & synonyms

SCHEMBL27841CHEMBL3650198MCIXIOJTXYAIBD-UHFFFAOYSA-NBDBM136514US8865714, 1N-(4-(4-hydroxypiperidin-1-yl)-phenyl)-4-((1-methylpyrrol-2-yl)-carbonyl)-1-piperazinecarboxamide

Database identifiers

PubChem CID: 46911245
ChEMBL: CHEMBL3650198

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 81.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 30
Formal charge: 0
Complexity: 594

Related reactions

2 records

New reaction record

HRID 538009As productuspto-grants-2014_10

HRID 2174691As productuspto-grants-2015_06

Compound notes

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