(3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide

C19H25N3O3 — CID 97315039

IUPAC(3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)C1
InChIInChI=1S/C19H25N3O3/c1-14(23)21-10-5-8-16(13-21)18(24)20-17-9-11-22(19(17)25)12-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-13H2,1H3,(H,20,24)/t16-,17+/m0/s1
InChIKeyAWCKWILZLVSALN-DLBZAZTESA-N
MW343.43 g/mol
LogP1.16
Rot. Bonds4

About (3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide

(3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide (PubChem CID 97315039) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide
PubChem CID97315039
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)C1
InChIInChI=1S/C19H25N3O3/c1-14(23)21-10-5-8-16(13-21)18(24)20-17-9-11-22(19(17)25)12-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-13H2,1H3,(H,20,24)/t16-,17+/m0/s1
InChIKeyAWCKWILZLVSALN-DLBZAZTESA-N
XLogP1.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674455
(3S)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 97315046
(3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 97315048
2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977235
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609
(3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide
CID 97197580
cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 95139850
2-acetamido-N-[(3S)-1-benzyl-2-oxoazepan-3-yl]propanamide
CID 59872516
(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 94434549
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea
CID 125138278
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide (CID 97315039) is (3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide is CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)C1.
What is the InChIKey of (3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide?
The InChIKey is AWCKWILZLVSALN-DLBZAZTESA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(23)21-10-5-8-16(13-21)18(24)20-17-9-11-22(19(17)25)12-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-13H2,1H3,(H,20,24)/t16-,17+/m0/s1.
What are the key properties of (3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide?
(3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 97315039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).