(4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

C23H27N3O — CID 35788544

IUPAC(4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCN(Cc4ccccc4C)CC3)[nH]c2c1
InChIInChI=1S/C23H27N3O/c1-16-12-18(3)20-14-22(24-21(20)13-16)23(27)26-10-8-25(9-11-26)15-19-7-5-4-6-17(19)2/h4-7,12-14,24H,8-11,15H2,1-3H3
InChIKeyPJWQRWZHQPOSDC-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.05
Rot. Bonds3

About (4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

(4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 35788544) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is (4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID35788544
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name(4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCN(Cc4ccccc4C)CC3)[nH]c2c1
InChIInChI=1S/C23H27N3O/c1-16-12-18(3)20-14-22(24-21(20)13-16)23(27)26-10-8-25(9-11-26)15-19-7-5-4-6-17(19)2/h4-7,12-14,24H,8-11,15H2,1-3H3
InChIKeyPJWQRWZHQPOSDC-UHFFFAOYSA-N
XLogP4.05
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 35894830
(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581120
3-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-2H-isoquinolin-1-one
CID 34741011
(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78828303
(2,5-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642232
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 146084829
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19515001
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116501
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone
CID 134032999
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 8642477

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone (CID 35788544) is (4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1cc(C)c2cc(C(=O)N3CCN(Cc4ccccc4C)CC3)[nH]c2c1.
What is the InChIKey of (4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is PJWQRWZHQPOSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16-12-18(3)20-14-22(24-21(20)13-16)23(27)26-10-8-25(9-11-26)15-19-7-5-4-6-17(19)2/h4-7,12-14,24H,8-11,15H2,1-3H3.
What are the key properties of (4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
(4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 361.49 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 35788544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).