1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide

C16H28N2O2S — CID 45209171

IUPAC1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
SMILESCSCCNC(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C16H28N2O2S/c1-21-10-9-17-16(20)14-7-8-15(19)18(12-14)11-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,17,20)
InChIKeyYSPZVFWOJLLYML-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.28
Rot. Bonds6

About 1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 45209171) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
PubChem CID45209171
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
SMILESCSCCNC(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C16H28N2O2S/c1-21-10-9-17-16(20)14-7-8-15(19)18(12-14)11-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,17,20)
InChIKeyYSPZVFWOJLLYML-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide 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-cyclopentyl-N-[2-(methylthio)ethyl]-6-oxo-3-piperidinecarboxamide
CID 45209498
2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-methylsulfanylethyl)acetamide
CID 11912445
1-(Cyclohexylmethyl)-5-(4-thiomorpholinylcarbonyl)-2-piperidinone
CID 45233368
N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide
CID 71976333
1-cycloheptyl-N-[2-(methylthio)ethyl]-6-oxo-3-piperidinecarboxamide
CID 45195665
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide
CID 45231220
N'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide
CID 23532326
N-[4-[[tert-butyl(dimethyl)-lambda4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide
CID 126761811
ethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane
CID 143202497
N-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide
CID 143626150
N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide
CID 170067702
(3R)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
CID 25283825

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide (CID 45209171) is 1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide is CSCCNC(=O)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is YSPZVFWOJLLYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-21-10-9-17-16(20)14-7-8-15(19)18(12-14)11-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,17,20).
What are the key properties of 1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 312.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45209171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).