1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one

C23H27N3O — CID 18086318

IUPAC1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1ccccc1N1CCN(C(C)C(=O)c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C23H27N3O/c1-16-8-4-7-11-21(16)26-14-12-25(13-15-26)18(3)23(27)22-17(2)24-20-10-6-5-9-19(20)22/h4-11,18,24H,12-15H2,1-3H3
InChIKeyKDYRRONFTOSBRV-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.18
Rot. Bonds4

About 1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one

1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 18086318) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID18086318
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1ccccc1N1CCN(C(C)C(=O)c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C23H27N3O/c1-16-8-4-7-11-21(16)26-14-12-25(13-15-26)18(3)23(27)22-17(2)24-20-10-6-5-9-19(20)22/h4-11,18,24H,12-15H2,1-3H3
InChIKeyKDYRRONFTOSBRV-UHFFFAOYSA-N
XLogP4.18
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 8688287
(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 8896360
(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8587205
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 18082753
(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8592237
1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4271918
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 41473821
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 17079114
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-1-one
CID 3466675
2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 86889608
(2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 40797023
N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18094346

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one (CID 18086318) is 1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one is Cc1ccccc1N1CCN(C(C)C(=O)c2c(C)[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is KDYRRONFTOSBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16-8-4-7-11-21(16)26-14-12-25(13-15-26)18(3)23(27)22-17(2)24-20-10-6-5-9-19(20)22/h4-11,18,24H,12-15H2,1-3H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 361.49 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 18086318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).