N-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide

C17H21N3O3 — CID 3410520

IUPACN-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
SMILESO=C(NC(=O)C1CCNCC1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H21N3O3/c21-15-2-1-11-20(15)14-5-3-12(4-6-14)16(22)19-17(23)13-7-9-18-10-8-13/h3-6,13,18H,1-2,7-11H2,(H,19,22,23)
InChIKeyBFCZTEJOJHAAOU-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.07
Rot. Bonds3

About N-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide

N-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 3410520) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
PubChem CID3410520
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
SMILESO=C(NC(=O)C1CCNCC1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H21N3O3/c21-15-2-1-11-20(15)14-5-3-12(4-6-14)16(22)19-17(23)13-7-9-18-10-8-13/h3-6,13,18H,1-2,7-11H2,(H,19,22,23)
InChIKeyBFCZTEJOJHAAOU-UHFFFAOYSA-N
XLogP1.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one
CID 103981052
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46584847
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60535609
N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 69439081
N-methoxy-4-(2-oxopiperidin-1-yl)benzamide
CID 51279408
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one
CID 82513628

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide (CID 3410520) is N-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide is O=C(NC(=O)C1CCNCC1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is BFCZTEJOJHAAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15-2-1-11-20(15)14-5-3-12(4-6-14)16(22)19-17(23)13-7-9-18-10-8-13/h3-6,13,18H,1-2,7-11H2,(H,19,22,23).
What are the key properties of N-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide?
N-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 3410520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).