(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one

C17H23N3O — CID 8896360

IUPAC(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCN(C)CC1
InChIInChI=1S/C17H23N3O/c1-12-16(14-6-4-5-7-15(14)18-12)17(21)13(2)20-10-8-19(3)9-11-20/h4-7,13,18H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyKREMTSLMFCVIQW-ZDUSSCGKSA-N
MW285.39 g/mol
LogP2.29
Rot. Bonds3

About (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one

(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 8896360) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID8896360
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCN(C)CC1
InChIInChI=1S/C17H23N3O/c1-12-16(14-6-4-5-7-15(14)18-12)17(21)13(2)20-10-8-19(3)9-11-20/h4-7,13,18H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyKREMTSLMFCVIQW-ZDUSSCGKSA-N
XLogP2.29
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.29
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
1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 18086318
(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
(2S)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 40984857
1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4271918
2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 86889608
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
(2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 40797023
1-(2-methyl-1H-indol-3-yl)-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 86892339
2-[1-(4-methylpiperazin-1-yl)propyl]-1H-indole-3-carboxylic acid
CID 70042094

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one (CID 8896360) is (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one is Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCN(C)CC1.
What is the InChIKey of (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is KREMTSLMFCVIQW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-16(14-6-4-5-7-15(14)18-12)17(21)13(2)20-10-8-19(3)9-11-20/h4-7,13,18H,8-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one?
(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 285.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 8896360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).