(2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide

C19H27N3O4 — CID 7544903

IUPAC(2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)N3CCCC[C@@H]3CCO)CC2=O)cc1
InChIInChI=1S/C19H27N3O4/c1-26-17-7-5-16(6-8-17)22-13-14(12-18(22)24)20-19(25)21-10-3-2-4-15(21)9-11-23/h5-8,14-15,23H,2-4,9-13H2,1H3,(H,20,25)/t14-,15+/m0/s1
InChIKeyTXGAFZOAJCPKHM-LSDHHAIUSA-N
MW361.44 g/mol
LogP1.75
Rot. Bonds5

About (2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide

(2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 7544903) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID7544903
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)N3CCCC[C@@H]3CCO)CC2=O)cc1
InChIInChI=1S/C19H27N3O4/c1-26-17-7-5-16(6-8-17)22-13-14(12-18(22)24)20-19(25)21-10-3-2-4-15(21)9-11-23/h5-8,14-15,23H,2-4,9-13H2,1H3,(H,20,25)/t14-,15+/m0/s1
InChIKeyTXGAFZOAJCPKHM-LSDHHAIUSA-N
XLogP1.75
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 43970748
(2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
CID 7513267
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 43969537
(2R)-N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 7552116
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide
CID 7548618
(2R)-2-ethyl-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7547783
(2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
CID 7513252
(3R)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylpiperidine-1-carboxamide
CID 7544881
1-cyclohexyl-1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572688
methyl 1-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 43969844
(4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92596147
4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7163162

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide (CID 7544903) is (2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide is COc1ccc(N2C[C@@H](NC(=O)N3CCCC[C@@H]3CCO)CC2=O)cc1.
What is the InChIKey of (2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is TXGAFZOAJCPKHM-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-26-17-7-5-16(6-8-17)22-13-14(12-18(22)24)20-19(25)21-10-3-2-4-15(21)9-11-23/h5-8,14-15,23H,2-4,9-13H2,1H3,(H,20,25)/t14-,15+/m0/s1.
What are the key properties of (2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide?
(2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 7544903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).