N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride

C16H22ClN3O2 — CID 119270698

IUPACN-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCCCN1
InChIInChI=1S/C16H21N3O2.ClH/c20-15-5-3-11-19(15)13-8-6-12(7-9-13)18-16(21)14-4-1-2-10-17-14;/h6-9,14,17H,1-5,10-11H2,(H,18,21);1H
InChIKeyCOQKOGHSRVHAFF-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.32
Rot. Bonds3

About N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride

N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119270698) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119270698
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCCCN1
InChIInChI=1S/C16H21N3O2.ClH/c20-15-5-3-11-19(15)13-8-6-12(7-9-13)18-16(21)14-4-1-2-10-17-14;/h6-9,14,17H,1-5,10-11H2,(H,18,21);1H
InChIKeyCOQKOGHSRVHAFF-UHFFFAOYSA-N
XLogP2.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273024
(2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide
CID 119694507
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119290061
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
(2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide
CID 119699368
N-(4-pyrrolidin-1-ylphenyl)azepane-2-carboxamide
CID 64562834
N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 119289998
(2S)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813196
(2R)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813194
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60711549
(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 93029701
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide
CID 119290026

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride (CID 119270698) is N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCCCN1.
What is the InChIKey of N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is COQKOGHSRVHAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c20-15-5-3-11-19(15)13-8-6-12(7-9-13)18-16(21)14-4-1-2-10-17-14;/h6-9,14,17H,1-5,10-11H2,(H,18,21);1H.
What are the key properties of N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride?
N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119270698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).