5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride

C19H29ClN4O2 — CID 119444737

IUPAC5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(c1ccccc1)N1CC(C(=O)NCCN2CCNCC2)CC1=O.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-15(16-5-3-2-4-6-16)23-14-17(13-18(23)24)19(25)21-9-12-22-10-7-20-8-11-22;/h2-6,15,17,20H,7-14H2,1H3,(H,21,25);1H
InChIKeyBEIWRFGYNOVFSF-UHFFFAOYSA-N
MW380.92 g/mol
LogP1.04
Rot. Bonds6

About 5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride

5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119444737) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119444737
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(c1ccccc1)N1CC(C(=O)NCCN2CCNCC2)CC1=O.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-15(16-5-3-2-4-6-16)23-14-17(13-18(23)24)19(25)21-9-12-22-10-7-20-8-11-22;/h2-6,15,17,20H,7-14H2,1H3,(H,21,25);1H
InChIKeyBEIWRFGYNOVFSF-UHFFFAOYSA-N
XLogP1.04
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119381978
N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540941
5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119554911
N-[2-(2-chloropropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108572284
5-oxo-1-(1-phenylethyl)-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113183406
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 120945493
(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 9465248
(3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95134283
N-[2-(4-aminophenyl)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 119547411
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540900
1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119445531
5-oxo-N-[2-(oxolane-2-carbonylamino)ethyl]-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540911

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119444737) is 5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride is CC(c1ccccc1)N1CC(C(=O)NCCN2CCNCC2)CC1=O.Cl.
What is the InChIKey of 5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is BEIWRFGYNOVFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c1-15(16-5-3-2-4-6-16)23-14-17(13-18(23)24)19(25)21-9-12-22-10-7-20-8-11-22;/h2-6,15,17,20H,7-14H2,1H3,(H,21,25);1H.
What are the key properties of 5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119444737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).