(3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C24H28N4O4 — CID 39349857

IUPAC(3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)CNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C24H28N4O4/c1-32-21-9-7-19(8-10-21)26-11-13-27(14-12-26)23(30)16-25-24(31)18-15-22(29)28(17-18)20-5-3-2-4-6-20/h2-10,18H,11-17H2,1H3,(H,25,31)/t18-/m1/s1
InChIKeyQVQYSBQWEUYHQQ-GOSISDBHSA-N
MW436.51 g/mol
LogP1.51
Rot. Bonds6

About (3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 39349857) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is (3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID39349857
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name(3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)CNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C24H28N4O4/c1-32-21-9-7-19(8-10-21)26-11-13-27(14-12-26)23(30)16-25-24(31)18-15-22(29)28(17-18)20-5-3-2-4-6-20/h2-10,18H,11-17H2,1H3,(H,25,31)/t18-/m1/s1
InChIKeyQVQYSBQWEUYHQQ-GOSISDBHSA-N
XLogP1.51
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 39338037
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide
CID 40775783
(3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 52522512
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 39038553
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 17309359
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490013
3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249977
N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119529526
N-(4-methoxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791034
1-(4-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188168

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 39349857) is (3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1.
What is the InChIKey of (3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is QVQYSBQWEUYHQQ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-32-21-9-7-19(8-10-21)26-11-13-27(14-12-26)23(30)16-25-24(31)18-15-22(29)28(17-18)20-5-3-2-4-6-20/h2-10,18H,11-17H2,1H3,(H,25,31)/t18-/m1/s1.
What are the key properties of (3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 39349857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).