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

C16H27N3O — CID 18083478

IUPACN-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)NC2(C#N)CCCCC2)C1
InChIInChI=1S/C16H27N3O/c1-13-7-6-10-19(11-13)14(2)15(20)18-16(12-17)8-4-3-5-9-16/h13-14H,3-11H2,1-2H3,(H,18,20)
InChIKeyLKUQJKKLGXIZGK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.45
Rot. Bonds3

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

N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)propanamide (PubChem CID 18083478) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)propanamide
PubChem CID18083478
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)NC2(C#N)CCCCC2)C1
InChIInChI=1S/C16H27N3O/c1-13-7-6-10-19(11-13)14(2)15(20)18-16(12-17)8-4-3-5-9-16/h13-14H,3-11H2,1-2H3,(H,18,20)
InChIKeyLKUQJKKLGXIZGK-UHFFFAOYSA-N
XLogP2.45
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)propanamide (CID 18083478) is N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)propanamide is CC1CCCN(C(C)C(=O)NC2(C#N)CCCCC2)C1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)propanamide?
The InChIKey is LKUQJKKLGXIZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13-7-6-10-19(11-13)14(2)15(20)18-16(12-17)8-4-3-5-9-16/h13-14H,3-11H2,1-2H3,(H,18,20).
What are the key properties of N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)propanamide?
N-(1-cyanocyclohexyl)-2-(3-methylpiperidin-1-yl)propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.45, 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)propanamide is sourced from PubChem (CID 18083478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).