(5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one

C23H25N3O2 — CID 96571413

IUPAC(5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCCc1c(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@H]2C)[nH]c2ccccc12
InChIInChI=1S/C23H25N3O2/c1-4-18-19-7-5-6-8-20(19)24-22(18)23(28)25-14-21(27)26(13-16(25)3)17-11-9-15(2)10-12-17/h5-12,16,24H,4,13-14H2,1-3H3/t16-/m1/s1
InChIKeyDKHJCZYNMKGBTO-MRXNPFEDSA-N
MW375.47 g/mol
LogP3.92
Rot. Bonds3

About (5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one

(5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one (PubChem CID 96571413) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
PubChem CID96571413
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCCc1c(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@H]2C)[nH]c2ccccc12
InChIInChI=1S/C23H25N3O2/c1-4-18-19-7-5-6-8-20(19)24-22(18)23(28)25-14-21(27)26(13-16(25)3)17-11-9-15(2)10-12-17/h5-12,16,24H,4,13-14H2,1-3H3/t16-/m1/s1
InChIKeyDKHJCZYNMKGBTO-MRXNPFEDSA-N
XLogP3.92
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-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

4-(2,3-dimethyl-1H-indole-7-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 70762552
(5S)-4-(2,3-dimethyl-1H-indole-7-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96578620
(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871
5-[(2S)-2-methyl-4-(4-methylphenyl)-5-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96576291
(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 97041649
(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154
(5R)-4-(2-ethoxypyridine-3-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580033
(5S)-5-methyl-1-(4-methylphenyl)-4-(2-propylsulfanylacetyl)piperazin-2-one
CID 96580243
(5S)-4-(1,3-benzodioxole-5-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96574586
(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580506
1-[2-methyl-4-(4-methylphenyl)-5-oxopiperazin-1-yl]-4-phenylbutane-1,2-dione
CID 70725997
(5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96575172

Frequently Asked Questions

What is the IUPAC name of (5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of (5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one (CID 96571413) is (5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for (5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for (5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one is CCc1c(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@H]2C)[nH]c2ccccc12.
What is the InChIKey of (5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is DKHJCZYNMKGBTO-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-4-18-19-7-5-6-8-20(19)24-22(18)23(28)25-14-21(27)26(13-16(25)3)17-11-9-15(2)10-12-17/h5-12,16,24H,4,13-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
(5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 96571413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).