1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one

C16H21N3O — CID 96679275

IUPAC1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
SMILESCc1ccc2c(C(=O)CCN3CCNCC3)c[nH]c2c1
InChIInChI=1S/C16H21N3O/c1-12-2-3-13-14(11-18-15(13)10-12)16(20)4-7-19-8-5-17-6-9-19/h2-3,10-11,17-18H,4-9H2,1H3
InChIKeyZVFGMONFUBKDMN-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds4

About 1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one

1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 96679275) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID96679275
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
SMILESCc1ccc2c(C(=O)CCN3CCNCC3)c[nH]c2c1
InChIInChI=1S/C16H21N3O/c1-12-2-3-13-14(11-18-15(13)10-12)16(20)4-7-19-8-5-17-6-9-19/h2-3,10-11,17-18H,4-9H2,1H3
InChIKeyZVFGMONFUBKDMN-UHFFFAOYSA-N
XLogP1.95
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
CID 98033749
3-(1,4-diazepan-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-one
CID 82136479
1-(2,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050255
2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 904242
2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone
CID 114457331
1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone
CID 913288
4-(2,5-dimethylphenyl)-4-oxo-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392750
1-(2-chloro-5-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050177
1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
CID 43341943
1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one (CID 96679275) is 1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one is Cc1ccc2c(C(=O)CCN3CCNCC3)c[nH]c2c1.
What is the InChIKey of 1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is ZVFGMONFUBKDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-2-3-13-14(11-18-15(13)10-12)16(20)4-7-19-8-5-17-6-9-19/h2-3,10-11,17-18H,4-9H2,1H3.
What are the key properties of 1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one?
1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 271.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 96679275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).