N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide

C17H29N3O — CID 18083493

IUPACN-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)CN(C(C)C(=O)NC2(C#N)CCCCC2)C1
InChIInChI=1S/C17H29N3O/c1-13-9-14(2)11-20(10-13)15(3)16(21)19-17(12-18)7-5-4-6-8-17/h13-15H,4-11H2,1-3H3,(H,19,21)
InChIKeySYYBLFZAJOGXPD-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.70
Rot. Bonds3

About N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide

N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide (PubChem CID 18083493) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
PubChem CID18083493
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)CN(C(C)C(=O)NC2(C#N)CCCCC2)C1
InChIInChI=1S/C17H29N3O/c1-13-9-14(2)11-20(10-13)15(3)16(21)19-17(12-18)7-5-4-6-8-17/h13-15H,4-11H2,1-3H3,(H,19,21)
InChIKeySYYBLFZAJOGXPD-UHFFFAOYSA-N
XLogP2.70
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.70
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-(3,5-dimethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide (CID 18083493) is N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide is CC1CC(C)CN(C(C)C(=O)NC2(C#N)CCCCC2)C1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide?
The InChIKey is SYYBLFZAJOGXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-9-14(2)11-20(10-13)15(3)16(21)19-17(12-18)7-5-4-6-8-17/h13-15H,4-11H2,1-3H3,(H,19,21).
What are the key properties of N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide?
N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide has a molecular weight of 291.44 g/mol, XLogP of 2.70, 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-(3,5-dimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 18083493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).