1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one

C23H25N3O2 — CID 53013284

IUPAC1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1c(C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)[nH]c2ccccc12
InChIInChI=1S/C23H25N3O2/c1-17-19-9-5-6-10-20(19)24-22(17)23(28)26-15-13-25(14-16-26)21(27)12-11-18-7-3-2-4-8-18/h2-10,24H,11-16H2,1H3
InChIKeyAJEPCBXQWAZVBE-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.39
Rot. Bonds4

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

1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 53013284) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID53013284
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1c(C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)[nH]c2ccccc12
InChIInChI=1S/C23H25N3O2/c1-17-19-9-5-6-10-20(19)24-22(17)23(28)26-15-13-25(14-16-26)21(27)12-11-18-7-3-2-4-8-18/h2-10,24H,11-16H2,1H3
InChIKeyAJEPCBXQWAZVBE-UHFFFAOYSA-N
XLogP3.39
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.39
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-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 113204223
1-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110397400
[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 53013280
(4-chlorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013270
(2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013272
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364923
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 53013284) is 1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one is Cc1c(C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)[nH]c2ccccc12.
What is the InChIKey of 1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is AJEPCBXQWAZVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-19-9-5-6-10-20(19)24-22(17)23(28)26-15-13-25(14-16-26)21(27)12-11-18-7-3-2-4-8-18/h2-10,24H,11-16H2,1H3.
What are the key properties of 1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 375.47 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 53013284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).