4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide

C24H28N4O3 — CID 7162491

IUPAC4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)N[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-17-3-7-22(8-4-17)28-16-20(15-23(28)30)25-24(31)27-13-11-26(12-14-27)21-9-5-19(6-10-21)18(2)29/h3-10,20H,11-16H2,1-2H3,(H,25,31)/t20-/m0/s1
InChIKeyMSFZUIOQQNHJLO-FQEVSTJZSA-N
MW420.51 g/mol
LogP2.83
Rot. Bonds4

About 4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide

4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide (PubChem CID 7162491) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
PubChem CID7162491
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)N[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-17-3-7-22(8-4-17)28-16-20(15-23(28)30)25-24(31)27-13-11-26(12-14-27)21-9-5-19(6-10-21)18(2)29/h3-10,20H,11-16H2,1-2H3,(H,25,31)/t20-/m0/s1
InChIKeyMSFZUIOQQNHJLO-FQEVSTJZSA-N
XLogP2.83
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetylphenyl)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 41234851
4-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 43969378
4-(4-acetylphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 43970230
4-(4-acetylphenyl)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 41106577
4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490033
4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7163162
ethyl 4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7513689
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylpiperazine-1-carboxamide
CID 43969541
4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490013
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
4-ethyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazin-4-ium-1-carboxamide
CID 7513687
methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7513661

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide (CID 7162491) is 4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)N[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide?
The InChIKey is MSFZUIOQQNHJLO-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-3-7-22(8-4-17)28-16-20(15-23(28)30)25-24(31)27-13-11-26(12-14-27)21-9-5-19(6-10-21)18(2)29/h3-10,20H,11-16H2,1-2H3,(H,25,31)/t20-/m0/s1.
What are the key properties of 4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide?
4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 7162491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).