(4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C23H33N3O3 — CID 92596147

IUPAC(4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3CCN3CCCC3)CC2=O)cc1
InChIInChI=1S/C23H33N3O3/c1-29-21-9-7-20(8-10-21)26-17-18(16-22(26)27)23(28)25-14-3-2-6-19(25)11-15-24-12-4-5-13-24/h7-10,18-19H,2-6,11-17H2,1H3/t18-,19-/m1/s1
InChIKeyTVKNLRTVRVWBOP-RTBURBONSA-N
MW399.54 g/mol
LogP2.92
Rot. Bonds6

About (4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 92596147) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is (4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID92596147
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name(4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3CCN3CCCC3)CC2=O)cc1
InChIInChI=1S/C23H33N3O3/c1-29-21-9-7-20(8-10-21)26-17-18(16-22(26)27)23(28)25-14-3-2-6-19(25)11-15-24-12-4-5-13-24/h7-10,18-19H,2-6,11-17H2,1H3/t18-,19-/m1/s1
InChIKeyTVKNLRTVRVWBOP-RTBURBONSA-N
XLogP2.92
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 60604921
(2R)-1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120890
(2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7544903
methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate
CID 47074517
(4R)-1-cyclopropyl-4-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94620798
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
1-(4-methoxyphenyl)-4-(6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 51125887
(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 9375187
1-(4-methoxyphenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119398709
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 119650076
1-(4-methoxyphenyl)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42949160

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 92596147) is (4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one is COc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3CCN3CCCC3)CC2=O)cc1.
What is the InChIKey of (4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is TVKNLRTVRVWBOP-RTBURBONSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-29-21-9-7-20(8-10-21)26-17-18(16-22(26)27)23(28)25-14-3-2-6-19(25)11-15-24-12-4-5-13-24/h7-10,18-19H,2-6,11-17H2,1H3/t18-,19-/m1/s1.
What are the key properties of (4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 399.54 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 92596147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).