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

C20H30ClN3O2 — CID 119554911

IUPAC5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(c1ccccc1)N1CC(C(=O)NCCC2CCCNC2)CC1=O.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-15(17-7-3-2-4-8-17)23-14-18(12-19(23)24)20(25)22-11-9-16-6-5-10-21-13-16;/h2-4,7-8,15-16,18,21H,5-6,9-14H2,1H3,(H,22,25);1H
InChIKeyODECWDKJTOSGEJ-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.52
Rot. Bonds6

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

5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119554911) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119554911
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(c1ccccc1)N1CC(C(=O)NCCC2CCCNC2)CC1=O.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-15(17-7-3-2-4-8-17)23-14-18(12-19(23)24)20(25)22-11-9-16-6-5-10-21-13-16;/h2-4,7-8,15-16,18,21H,5-6,9-14H2,1H3,(H,22,25);1H
InChIKeyODECWDKJTOSGEJ-UHFFFAOYSA-N
XLogP2.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-pentan-3-yl-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119556333
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CID 119444737
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
N-[2-(2-chloropropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108572284
(3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95134283
5-oxo-1-(1-phenylethyl)-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113183406
5-oxo-N-[2-(oxolane-2-carbonylamino)ethyl]-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540911
1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
CID 119555623
1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119557408
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

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119554911) is 5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride is CC(c1ccccc1)N1CC(C(=O)NCCC2CCCNC2)CC1=O.Cl.
What is the InChIKey of 5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ODECWDKJTOSGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-15(17-7-3-2-4-8-17)23-14-18(12-19(23)24)20(25)22-11-9-16-6-5-10-21-13-16;/h2-4,7-8,15-16,18,21H,5-6,9-14H2,1H3,(H,22,25);1H.
What are the key properties of 5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119554911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).