1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone

C16H21N3O — CID 163684604

IUPAC1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone
SMILESCNc1ccc2c(C3CCN(C(C)=O)CC3)c[nH]c2c1
InChIInChI=1S/C16H21N3O/c1-11(20)19-7-5-12(6-8-19)15-10-18-16-9-13(17-2)3-4-14(15)16/h3-4,9-10,12,17-18H,5-8H2,1-2H3
InChIKeyJNSZMPQCTKECST-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds2

About 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone

1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone (PubChem CID 163684604) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone
PubChem CID163684604
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone
SMILESCNc1ccc2c(C3CCN(C(C)=O)CC3)c[nH]c2c1
InChIInChI=1S/C16H21N3O/c1-11(20)19-7-5-12(6-8-19)15-10-18-16-9-13(17-2)3-4-14(15)16/h3-4,9-10,12,17-18H,5-8H2,1-2H3
InChIKeyJNSZMPQCTKECST-UHFFFAOYSA-N
XLogP2.94
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 91660760
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide
CID 24612421
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-methyl-2,3-dihydropyrazin-2-yl)methanone
CID 144855100
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
CID 113087593
4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673262
1-[4-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]piperidin-1-yl]ethanone
CID 163374374
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120636397
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine
CID 58512063
4-(6-methyl-1H-indol-3-yl)piperidin-1-amine
CID 90932257
(4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone
CID 68564319

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone (CID 163684604) is 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone is CNc1ccc2c(C3CCN(C(C)=O)CC3)c[nH]c2c1.
What is the InChIKey of 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is JNSZMPQCTKECST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(20)19-7-5-12(6-8-19)15-10-18-16-9-13(17-2)3-4-14(15)16/h3-4,9-10,12,17-18H,5-8H2,1-2H3.
What are the key properties of 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone?
1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 271.36 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 163684604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).