(6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one

C23H25N3O3 — CID 125173408

IUPAC(6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
SMILESCOc1cccc(N2C(=O)CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C[C@H]2C)c1
InChIInChI=1S/C23H25N3O3/c1-14-12-25(13-22(27)26(14)18-6-5-7-19(11-18)29-4)23(28)17-8-9-21-20(10-17)15(2)16(3)24-21/h5-11,14,24H,12-13H2,1-4H3/t14-/m1/s1
InChIKeyBKNPJLQLEIHZCP-CQSZACIVSA-N
MW391.47 g/mol
LogP3.67
Rot. Bonds3

About (6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one

(6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one (PubChem CID 125173408) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one.

Molecular Properties

Compound Name(6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
PubChem CID125173408
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
SMILESCOc1cccc(N2C(=O)CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C[C@H]2C)c1
InChIInChI=1S/C23H25N3O3/c1-14-12-25(13-22(27)26(14)18-6-5-7-19(11-18)29-4)23(28)17-8-9-21-20(10-17)15(2)16(3)24-21/h5-11,14,24H,12-13H2,1-4H3/t14-/m1/s1
InChIKeyBKNPJLQLEIHZCP-CQSZACIVSA-N
XLogP3.67
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 26325845
[(3aS,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 110126454
4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one
CID 64694144
(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103536921
(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one
CID 25306547
(6S)-1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 42371325
1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 45199411
(2,3-dimethyl-1H-indol-5-yl)-(3-methylpiperazin-1-yl)methanone
CID 65418753
methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate
CID 26401829
(2,3-dimethyl-1H-indol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680498
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4868821
3-[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 42425075

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
The IUPAC name of (6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one (CID 125173408) is (6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one.
What is the SMILES notation for (6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
The canonical SMILES for (6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one is COc1cccc(N2C(=O)CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C[C@H]2C)c1.
What is the InChIKey of (6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
The InChIKey is BKNPJLQLEIHZCP-CQSZACIVSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-14-12-25(13-22(27)26(14)18-6-5-7-19(11-18)29-4)23(28)17-8-9-21-20(10-17)15(2)16(3)24-21/h5-11,14,24H,12-13H2,1-4H3/t14-/m1/s1.
What are the key properties of (6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
(6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one has a molecular weight of 391.47 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one is sourced from PubChem (CID 125173408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).