1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

C27H33N3O4 — CID 110151677

IUPAC1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESCC(=O)N1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)C(c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C27H33N3O4/c1-19(2)34-24-11-9-22(10-12-24)25-18-28(20(3)31)14-15-30(25)27(33)23-7-4-6-21(16-23)17-29-13-5-8-26(29)32/h4,6-7,9-12,16,19,25H,5,8,13-15,17-18H2,1-3H3
InChIKeyWZGVORKKTIJAOM-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.64
Rot. Bonds6

About 1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 110151677) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID110151677
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESCC(=O)N1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)C(c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C27H33N3O4/c1-19(2)34-24-11-9-22(10-12-24)25-18-28(20(3)31)14-15-30(25)27(33)23-7-4-6-21(16-23)17-29-13-5-8-26(29)32/h4,6-7,9-12,16,19,25H,5,8,13-15,17-18H2,1-3H3
InChIKeyWZGVORKKTIJAOM-UHFFFAOYSA-N
XLogP3.64
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S)-3-(4-propan-2-yloxyphenyl)-4-[3-(1,2,4-triazol-4-yl)benzoyl]piperazin-1-yl]ethanone
CID 124987398
1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 120741192
1-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124589864
1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 42920451
1-[[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 17419740
1-[[3-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 17453970
1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 45340369
1-[[3-[2-(2-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 154762151
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 46600220
1-[[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9034189
1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 18098159
1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 110264662

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (CID 110151677) is 1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is CC(=O)N1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)C(c2ccc(OC(C)C)cc2)C1.
What is the InChIKey of 1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is WZGVORKKTIJAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-19(2)34-24-11-9-22(10-12-24)25-18-28(20(3)31)14-15-30(25)27(33)23-7-4-6-21(16-23)17-29-13-5-8-26(29)32/h4,6-7,9-12,16,19,25H,5,8,13-15,17-18H2,1-3H3.
What are the key properties of 1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 463.58 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 110151677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).