N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide

C15H25N3O — CID 18129603

IUPACN-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)NC2(C#N)CCCCC2)C1
InChIInChI=1S/C15H25N3O/c1-13-6-5-9-18(10-13)11-14(19)17-15(12-16)7-3-2-4-8-15/h13H,2-11H2,1H3,(H,17,19)
InChIKeySPNCYVIJDSSKPX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.06
Rot. Bonds3

About N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide

N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 18129603) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID18129603
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)NC2(C#N)CCCCC2)C1
InChIInChI=1S/C15H25N3O/c1-13-6-5-9-18(10-13)11-14(19)17-15(12-16)7-3-2-4-8-15/h13H,2-11H2,1H3,(H,17,19)
InChIKeySPNCYVIJDSSKPX-UHFFFAOYSA-N
XLogP2.06
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide (CID 18129603) is N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide is CC1CCCN(CC(=O)NC2(C#N)CCCCC2)C1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is SPNCYVIJDSSKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13-6-5-9-18(10-13)11-14(19)17-15(12-16)7-3-2-4-8-15/h13H,2-11H2,1H3,(H,17,19).
What are the key properties of N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide?
N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 18129603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).