3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile

C16H19N3 — CID 56821592

IUPAC3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H19N3/c17-8-3-9-19-10-6-13(7-11-19)16-12-14-4-1-2-5-15(14)18-16/h1-2,4-5,12-13,18H,3,6-7,9-11H2
InChIKeyKFXJDMGIRVVFDL-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.26
Rot. Bonds3

About 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile

3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile (PubChem CID 56821592) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile
PubChem CID56821592
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H19N3/c17-8-3-9-19-10-6-13(7-11-19)16-12-14-4-1-2-5-15(14)18-16/h1-2,4-5,12-13,18H,3,6-7,9-11H2
InChIKeyKFXJDMGIRVVFDL-UHFFFAOYSA-N
XLogP3.26
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile 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

2-cyclohexyl-1H-indole
CID 607977
2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole
CID 56799944
3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile
CID 3044601
3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one
CID 10333441
4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide
CID 95164710
2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113087860
4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]butanenitrile
CID 51107120
2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51097289
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
2-(oxetan-3-yl)-1H-indole
CID 151869222
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide
CID 52538400
(2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 139011392

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile (CID 56821592) is 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile is N#CCCN1CCC(c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile?
The InChIKey is KFXJDMGIRVVFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-8-3-9-19-10-6-13(7-11-19)16-12-14-4-1-2-5-15(14)18-16/h1-2,4-5,12-13,18H,3,6-7,9-11H2.
What are the key properties of 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile?
3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile has a molecular weight of 253.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile is sourced from PubChem (CID 56821592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).