1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide

C17H22N4O3 — CID 7209085

IUPAC1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C17H22N4O3/c18-16(23)12-6-8-20(9-7-12)17(24)19-13-10-15(22)21(11-13)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,18,23)(H,19,24)/t13-/m0/s1
InChIKeyZRHZFAWDTSZOGL-ZDUSSCGKSA-N
MW330.39 g/mol
LogP0.70
Rot. Bonds3

About 1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide

1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide (PubChem CID 7209085) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide
PubChem CID7209085
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C17H22N4O3/c18-16(23)12-6-8-20(9-7-12)17(24)19-13-10-15(22)21(11-13)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,18,23)(H,19,24)/t13-/m0/s1
InChIKeyZRHZFAWDTSZOGL-ZDUSSCGKSA-N
XLogP0.70
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenylpyrrolidine-1-carboxamide
CID 71882274
1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 7216120
N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 7209012
methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7513661
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-hydroxypiperidine-1-carboxamide
CID 7215665
3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide
CID 146126205
methyl 1-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 43969844
4-(furan-2-carbonyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209010
4-(furan-2-carbonyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209011
(2R)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide
CID 97015203
4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490013
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]azepane-1-carboxamide
CID 18564413

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide (CID 7209085) is 1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1.
What is the InChIKey of 1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide?
The InChIKey is ZRHZFAWDTSZOGL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O3/c18-16(23)12-6-8-20(9-7-12)17(24)19-13-10-15(22)21(11-13)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,18,23)(H,19,24)/t13-/m0/s1.
What are the key properties of 1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide?
1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 7209085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).