(2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide

C19H27N3O3 — CID 94447591

IUPAC(2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-25-16-9-7-15(8-10-16)20-19(24)17-6-5-13-22(17)14-18(23)21-11-3-2-4-12-21/h7-10,17H,2-6,11-14H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyFBDRRMKAJWCQAK-KRWDZBQOSA-N
MW345.44 g/mol
LogP2.11
Rot. Bonds5

About (2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide

(2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 94447591) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
PubChem CID94447591
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-25-16-9-7-15(8-10-16)20-19(24)17-6-5-13-22(17)14-18(23)21-11-3-2-4-12-21/h7-10,17H,2-6,11-14H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyFBDRRMKAJWCQAK-KRWDZBQOSA-N
XLogP2.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55852273
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
(2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 100692030
(2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 52512688
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
1-(1,3-benzothiazol-2-ylmethyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 47055497
(2R)-N-(4-methoxyphenyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrrolidine-2-carboxamide
CID 124742130
1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55851895
N-(4-methoxyphenyl)-4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 53057839
(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468944
1-[2-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 62030100
1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111054626

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide (CID 94447591) is (2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN2CC(=O)N2CCCCC2)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is FBDRRMKAJWCQAK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-25-16-9-7-15(8-10-16)20-19(24)17-6-5-13-22(17)14-18(23)21-11-3-2-4-12-21/h7-10,17H,2-6,11-14H2,1H3,(H,20,24)/t17-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 94447591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).