N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide

C16H21N3O2 — CID 119289998

IUPACN-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCCC2=O)c1)C1CCCN1
InChIInChI=1S/C16H21N3O2/c20-15-8-1-2-10-19(15)13-6-3-5-12(11-13)18-16(21)14-7-4-9-17-14/h3,5-6,11,14,17H,1-2,4,7-10H2,(H,18,21)
InChIKeyUAGQPVRVKIYIHV-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.89
Rot. Bonds3

About N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide

N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119289998) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID119289998
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCCC2=O)c1)C1CCCN1
InChIInChI=1S/C16H21N3O2/c20-15-8-1-2-10-19(15)13-6-3-5-12(11-13)18-16(21)14-7-4-9-17-14/h3,5-6,11,14,17H,1-2,4,7-10H2,(H,18,21)
InChIKeyUAGQPVRVKIYIHV-UHFFFAOYSA-N
XLogP1.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273024
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119270698
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
(2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide
CID 120924428
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60711549
N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-2-carboxamide
CID 119724536
(2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 22689961
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide
CID 119290026
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide
CID 51213619

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide (CID 119289998) is N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(N2CCCCC2=O)c1)C1CCCN1.
What is the InChIKey of N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is UAGQPVRVKIYIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15-8-1-2-10-19(15)13-6-3-5-12(11-13)18-16(21)14-7-4-9-17-14/h3,5-6,11,14,17H,1-2,4,7-10H2,(H,18,21).
What are the key properties of N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide?
N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119289998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).