[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone

C22H23N3O2 — CID 53013280

IUPAC[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2C)CC1
InChIInChI=1S/C22H23N3O2/c1-15-7-3-4-8-17(15)21(26)24-11-13-25(14-12-24)22(27)20-16(2)18-9-5-6-10-19(18)23-20/h3-10,23H,11-14H2,1-2H3
InChIKeyDVBSFUMWLJRSNH-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.38
Rot. Bonds2

About [4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone

[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 53013280) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is [4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID53013280
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2C)CC1
InChIInChI=1S/C22H23N3O2/c1-15-7-3-4-8-17(15)21(26)24-11-13-25(14-12-24)22(27)20-16(2)18-9-5-6-10-19(18)23-20/h3-10,23H,11-14H2,1-2H3
InChIKeyDVBSFUMWLJRSNH-UHFFFAOYSA-N
XLogP3.38
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.38
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

(2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013272
(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 113204223
(4-chlorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013270
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
(4-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222
(2-methylphenyl)-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)methanone
CID 84582659
(3,4-difluorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013289
1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 53013284
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
3-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]-1H-indole
CID 156514569
[4-[(2-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone
CID 113086605
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone (CID 53013280) is [4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2C)CC1.
What is the InChIKey of [4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is DVBSFUMWLJRSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-7-3-4-8-17(15)21(26)24-11-13-25(14-12-24)22(27)20-16(2)18-9-5-6-10-19(18)23-20/h3-10,23H,11-14H2,1-2H3.
What are the key properties of [4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone?
[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 361.44 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 53013280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).