N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide

C16H30N2O2S — CID 170067702

IUPACN-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide
SMILESCCCC(C)CCNC(=O)C1CCN(C(=O)CSC)CC1
InChIInChI=1S/C16H30N2O2S/c1-4-5-13(2)6-9-17-16(20)14-7-10-18(11-8-14)15(19)12-21-3/h13-14H,4-12H2,1-3H3,(H,17,20)
InChIKeyUPDBUEALCDJVEJ-UHFFFAOYSA-N
MW314.50 g/mol
LogP2.53
Rot. Bonds8

About N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide

N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide (PubChem CID 170067702) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide
PubChem CID170067702
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC NameN-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide
SMILESCCCC(C)CCNC(=O)C1CCN(C(=O)CSC)CC1
InChIInChI=1S/C16H30N2O2S/c1-4-5-13(2)6-9-17-16(20)14-7-10-18(11-8-14)15(19)12-21-3/h13-14H,4-12H2,1-3H3,(H,17,20)
InChIKeyUPDBUEALCDJVEJ-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-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

N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide
CID 60963510
1-(4,8,13,17-tetramethylicosylcarbamoyl)piperidine-4-carboxylic acid
CID 175819564
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005543
N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60953607
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide
CID 157341024
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide
CID 55717756
2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 80539207
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864

Frequently Asked Questions

What is the IUPAC name of N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide (CID 170067702) is N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide is CCCC(C)CCNC(=O)C1CCN(C(=O)CSC)CC1.
What is the InChIKey of N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide?
The InChIKey is UPDBUEALCDJVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-4-5-13(2)6-9-17-16(20)14-7-10-18(11-8-14)15(19)12-21-3/h13-14H,4-12H2,1-3H3,(H,17,20).
What are the key properties of N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide?
N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide has a molecular weight of 314.50 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 170067702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).