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

C20H29N3O2 — CID 94115136

IUPAC(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H29N3O2/c24-19-15-18(16-23(19)13-9-17-7-3-1-4-8-17)20(25)21-10-14-22-11-5-2-6-12-22/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,21,25)/t18-/m0/s1
InChIKeyUEUKENXQRUTNEQ-SFHVURJKSA-N
MW343.47 g/mol
LogP1.68
Rot. Bonds7

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

(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 94115136) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID94115136
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H29N3O2/c24-19-15-18(16-23(19)13-9-17-7-3-1-4-8-17)20(25)21-10-14-22-11-5-2-6-12-22/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,21,25)/t18-/m0/s1
InChIKeyUEUKENXQRUTNEQ-SFHVURJKSA-N
XLogP1.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51187065
N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 6624412
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350
N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 111445380
(3S)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 95130021
(3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 94423103
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 45197099
5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 42977398
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
(3S)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 38441199
(3R)-5-oxo-1-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922412
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 45242880

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide (CID 94115136) is (3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide is O=C(NCCN1CCCCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is UEUKENXQRUTNEQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19-15-18(16-23(19)13-9-17-7-3-1-4-8-17)20(25)21-10-14-22-11-5-2-6-12-22/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,21,25)/t18-/m0/s1.
What are the key properties of (3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94115136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).