2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile

C17H22N4 — CID 60805941

IUPAC2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile
SMILESCCN(Cc1cn2ccccc2c1C#N)C1CCNCC1
InChIInChI=1S/C17H22N4/c1-2-20(15-6-8-19-9-7-15)12-14-13-21-10-4-3-5-17(21)16(14)11-18/h3-5,10,13,15,19H,2,6-9,12H2,1H3
InChIKeyKSJHLJXLRKCWBK-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.38
Rot. Bonds4

About 2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile

2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile (PubChem CID 60805941) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile
PubChem CID60805941
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile
SMILESCCN(Cc1cn2ccccc2c1C#N)C1CCNCC1
InChIInChI=1S/C17H22N4/c1-2-20(15-6-8-19-9-7-15)12-14-13-21-10-4-3-5-17(21)16(14)11-18/h3-5,10,13,15,19H,2,6-9,12H2,1H3
InChIKeyKSJHLJXLRKCWBK-UHFFFAOYSA-N
XLogP2.38
TPSA43.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile 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-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile
CID 62673499
2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile
CID 99613524
2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile
CID 134011008
2-(iodomethyl)indolizine-1-carbonitrile
CID 64786804
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile
CID 51322838
methyl (2S)-2-[1-[(1-cyanoindolizin-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 97238831
2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile
CID 75402499
2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-5-fluorobenzonitrile
CID 63300323
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile
CID 71899945
ethyl 1-[(1-cyanoindolizin-2-yl)methyl]piperidine-4-carboxylate
CID 51322364

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile (CID 60805941) is 2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile is CCN(Cc1cn2ccccc2c1C#N)C1CCNCC1.
What is the InChIKey of 2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile?
The InChIKey is KSJHLJXLRKCWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-20(15-6-8-19-9-7-15)12-14-13-21-10-4-3-5-17(21)16(14)11-18/h3-5,10,13,15,19H,2,6-9,12H2,1H3.
What are the key properties of 2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile?
2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile has a molecular weight of 282.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 60805941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).