(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide

C19H27N3O3 — CID 95708222

IUPAC(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC[C@H]2CCN2CCCC2=O)c1
InChIInChI=1S/C19H27N3O3/c1-25-17-8-4-6-15(14-17)20-19(24)22-12-3-2-7-16(22)10-13-21-11-5-9-18(21)23/h4,6,8,14,16H,2-3,5,7,9-13H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyCLYYGRDOJUCBNK-INIZCTEOSA-N
MW345.44 g/mol
LogP3.09
Rot. Bonds5

About (2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide

(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide (PubChem CID 95708222) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
PubChem CID95708222
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC[C@H]2CCN2CCCC2=O)c1
InChIInChI=1S/C19H27N3O3/c1-25-17-8-4-6-15(14-17)20-19(24)22-12-3-2-7-16(22)10-13-21-11-5-9-18(21)23/h4,6,8,14,16H,2-3,5,7,9-13H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyCLYYGRDOJUCBNK-INIZCTEOSA-N
XLogP3.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95714212
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209
1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70741060
2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 56914578
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate
CID 72864584
(2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 95980216
(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
CID 72849322
(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 97331505
N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide
CID 161443494
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide (CID 95708222) is (2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCCC[C@H]2CCN2CCCC2=O)c1.
What is the InChIKey of (2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is CLYYGRDOJUCBNK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-25-17-8-4-6-15(14-17)20-19(24)22-12-3-2-7-16(22)10-13-21-11-5-9-18(21)23/h4,6,8,14,16H,2-3,5,7,9-13H2,1H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide?
(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 95708222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).