(2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide

C17H23N3O3 — CID 119699368

IUPAC(2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CCCCN2)ccc1N1CCCC1=O
InChIInChI=1S/C17H23N3O3/c1-23-15-11-12(19-17(22)13-5-2-3-9-18-13)7-8-14(15)20-10-4-6-16(20)21/h7-8,11,13,18H,2-6,9-10H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyJPBVVEFUCAMRQF-CYBMUJFWSA-N
MW317.39 g/mol
LogP1.90
Rot. Bonds4

About (2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide

(2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide (PubChem CID 119699368) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide
PubChem CID119699368
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CCCCN2)ccc1N1CCCC1=O
InChIInChI=1S/C17H23N3O3/c1-23-15-11-12(19-17(22)13-5-2-3-9-18-13)7-8-14(15)20-10-4-6-16(20)21/h7-8,11,13,18H,2-6,9-10H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyJPBVVEFUCAMRQF-CYBMUJFWSA-N
XLogP1.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119290061
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide
CID 119290026
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60711549
N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119270698
(2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 51493155
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180002
N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
CID 107621689
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
(1R,6S)-6-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 95570309

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide (CID 119699368) is (2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide is COc1cc(NC(=O)[C@H]2CCCCN2)ccc1N1CCCC1=O.
What is the InChIKey of (2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is JPBVVEFUCAMRQF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-15-11-12(19-17(22)13-5-2-3-9-18-13)7-8-14(15)20-10-4-6-16(20)21/h7-8,11,13,18H,2-6,9-10H2,1H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide?
(2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119699368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).