(3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one

C25H30N2O3 — CID 125004408

IUPAC(3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one
SMILESCOc1ccccc1-c1ccccc1C[C@@H]1C(=O)N(C)CCN1C(=O)C1CCCC1
InChIInChI=1S/C25H30N2O3/c1-26-15-16-27(24(28)18-9-3-4-10-18)22(25(26)29)17-19-11-5-6-12-20(19)21-13-7-8-14-23(21)30-2/h5-8,11-14,18,22H,3-4,9-10,15-17H2,1-2H3/t22-/m1/s1
InChIKeySYGVMNAAHMNILQ-JOCHJYFZSA-N
MW406.53 g/mol
LogP3.76
Rot. Bonds5

About (3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one

(3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one (PubChem CID 125004408) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is (3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one
PubChem CID125004408
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name(3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one
SMILESCOc1ccccc1-c1ccccc1C[C@@H]1C(=O)N(C)CCN1C(=O)C1CCCC1
InChIInChI=1S/C25H30N2O3/c1-26-15-16-27(24(28)18-9-3-4-10-18)22(25(26)29)17-19-11-5-6-12-20(19)21-13-7-8-14-23(21)30-2/h5-8,11-14,18,22H,3-4,9-10,15-17H2,1-2H3/t22-/m1/s1
InChIKeySYGVMNAAHMNILQ-JOCHJYFZSA-N
XLogP3.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methyl-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 124939565
1-benzoyl-6-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methyl-1,4-diazepan-5-one
CID 110229967
6-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methyl-1-(2-phenylacetyl)-1,4-diazepan-5-one
CID 110229970
(3S)-4-(cyclohexanecarbonyl)-1-ethyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 95811633
4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110250406
(6R)-1-(cyclopentanecarbonyl)-4-methyl-6-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 92608529
(3S)-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxypyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 125026438
3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one
CID 131897843
1-(cyclobutanecarbonyl)-4-methyl-6-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 110230217
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
CID 110284344
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673250

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one?
The IUPAC name of (3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one (CID 125004408) is (3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for (3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one?
The canonical SMILES for (3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one is COc1ccccc1-c1ccccc1C[C@@H]1C(=O)N(C)CCN1C(=O)C1CCCC1.
What is the InChIKey of (3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one?
The InChIKey is SYGVMNAAHMNILQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-26-15-16-27(24(28)18-9-3-4-10-18)22(25(26)29)17-19-11-5-6-12-20(19)21-13-7-8-14-23(21)30-2/h5-8,11-14,18,22H,3-4,9-10,15-17H2,1-2H3/t22-/m1/s1.
What are the key properties of (3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one?
(3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one has a molecular weight of 406.53 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 125004408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).