N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride

C18H26ClN3O2 — CID 119287077

IUPACN-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC(CN1CCCC1=O)c1ccccc1)C1CCCNC1
InChIInChI=1S/C18H25N3O2.ClH/c22-17-9-5-11-21(17)13-16(14-6-2-1-3-7-14)20-18(23)15-8-4-10-19-12-15;/h1-3,6-7,15-16,19H,4-5,8-13H2,(H,20,23);1H
InChIKeyZPIBZFCHAMKRKZ-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.89
Rot. Bonds5

About N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride

N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119287077) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119287077
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC(CN1CCCC1=O)c1ccccc1)C1CCCNC1
InChIInChI=1S/C18H25N3O2.ClH/c22-17-9-5-11-21(17)13-16(14-6-2-1-3-7-14)20-18(23)15-8-4-10-19-12-15;/h1-3,6-7,15-16,19H,4-5,8-13H2,(H,20,23);1H
InChIKeyZPIBZFCHAMKRKZ-UHFFFAOYSA-N
XLogP1.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119279865
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119719350
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide
CID 55749883
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
CID 87003255
(2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide
CID 120787050
N-[2-(2-fluorophenoxy)-1-phenylethyl]piperidine-3-carboxamide
CID 119296109
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide
CID 94799256
1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 55750077
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-3-carboxamide
CID 47043425
7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86996050

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride (CID 119287077) is N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NC(CN1CCCC1=O)c1ccccc1)C1CCCNC1.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is ZPIBZFCHAMKRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c22-17-9-5-11-21(17)13-16(14-6-2-1-3-7-14)20-18(23)15-8-4-10-19-12-15;/h1-3,6-7,15-16,19H,4-5,8-13H2,(H,20,23);1H.
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride?
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119287077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).