N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride

C21H32ClN3O2 — CID 119719350

IUPACN-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(CN1CCCC1=O)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-16(17-9-11-22-12-10-17)14-20(25)23-19(18-6-3-2-4-7-18)15-24-13-5-8-21(24)26;/h2-4,6-7,16-17,19,22H,5,8-15H2,1H3,(H,23,25);1H
InChIKeyQKKKKFYGYXJEDN-UHFFFAOYSA-N
MW393.96 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119719350) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119719350
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(CN1CCCC1=O)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-16(17-9-11-22-12-10-17)14-20(25)23-19(18-6-3-2-4-7-18)15-24-13-5-8-21(24)26;/h2-4,6-7,16-17,19,22H,5,8-15H2,1H3,(H,23,25);1H
InChIKeyQKKKKFYGYXJEDN-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119779875
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride
CID 119287077
N-(1,1-diphenylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119716630
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 119851531
N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide
CID 55749883
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide
CID 55749749
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide
CID 94799256
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-thiophen-2-ylacetamide
CID 51082883
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119719350) is N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NC(CN1CCCC1=O)c1ccccc1)C1CCNCC1.Cl.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is QKKKKFYGYXJEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.ClH/c1-16(17-9-11-22-12-10-17)14-20(25)23-19(18-6-3-2-4-7-18)15-24-13-5-8-21(24)26;/h2-4,6-7,16-17,19,22H,5,8-15H2,1H3,(H,23,25);1H.
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 2.91, 7 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]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119719350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).