(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone

C20H21N3O — CID 113204223

IUPAC(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccccc3)CC2)[nH]c2ccccc12
InChIInChI=1S/C20H21N3O/c1-15-17-9-5-6-10-18(17)21-19(15)20(24)23-13-11-22(12-14-23)16-7-3-2-4-8-16/h2-10,21H,11-14H2,1H3
InChIKeyAHPWYVASDJSWMA-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.44
Rot. Bonds2

About (3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone

(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 113204223) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID113204223
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccccc3)CC2)[nH]c2ccccc12
InChIInChI=1S/C20H21N3O/c1-15-17-9-5-6-10-18(17)21-19(15)20(24)23-13-11-22(12-14-23)16-7-3-2-4-8-16/h2-10,21H,11-14H2,1H3
InChIKeyAHPWYVASDJSWMA-UHFFFAOYSA-N
XLogP3.44
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 53013280
(4-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222
1-[2,4-dimethyl-5-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17391426
(2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013272
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
(4-chlorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013270
1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 53013284
(3,4-difluorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013289
1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 4916613
3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide
CID 46391982
4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969190
2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 31853042

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone (CID 113204223) is (3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1c(C(=O)N2CCN(c3ccccc3)CC2)[nH]c2ccccc12.
What is the InChIKey of (3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is AHPWYVASDJSWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-17-9-5-6-10-18(17)21-19(15)20(24)23-13-11-22(12-14-23)16-7-3-2-4-8-16/h2-10,21H,11-14H2,1H3.
What are the key properties of (3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 319.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 113204223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).