1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile

C13H20N2OS — CID 103163605

IUPAC1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile
SMILESCSC1(C#N)CCN(C(=O)CC2CCC2)CC1
InChIInChI=1S/C13H20N2OS/c1-17-13(10-14)5-7-15(8-6-13)12(16)9-11-3-2-4-11/h11H,2-9H2,1H3
InChIKeyYXCINYMQSHFTIB-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.42
Rot. Bonds3

About 1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile

1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile (PubChem CID 103163605) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile
PubChem CID103163605
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile
SMILESCSC1(C#N)CCN(C(=O)CC2CCC2)CC1
InChIInChI=1S/C13H20N2OS/c1-17-13(10-14)5-7-15(8-6-13)12(16)9-11-3-2-4-11/h11H,2-9H2,1H3
InChIKeyYXCINYMQSHFTIB-UHFFFAOYSA-N
XLogP2.42
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-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

1-heptanoyl-4-methylsulfanylpiperidine-4-carbonitrile
CID 114752733
2-cyclopentyl-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706726
2-cyclobutyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103165081
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119560451
2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103806634
2-cyclopentyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304327
2-cyclobutyl-1-[4-(ethylamino)piperidin-1-yl]ethanone
CID 103161305
1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
CID 115924013
2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone
CID 100698504
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile
CID 60692896
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile?
The IUPAC name of 1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile (CID 103163605) is 1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile is CSC1(C#N)CCN(C(=O)CC2CCC2)CC1.
What is the InChIKey of 1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile?
The InChIKey is YXCINYMQSHFTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-17-13(10-14)5-7-15(8-6-13)12(16)9-11-3-2-4-11/h11H,2-9H2,1H3.
What are the key properties of 1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile?
1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile has a molecular weight of 252.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylacetyl)-4-methylsulfanylpiperidine-4-carbonitrile is sourced from PubChem (CID 103163605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).