N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide

C16H27N3O — CID 79160127

IUPACN-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide
SMILESCCC1CCC(C#N)(NC(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C16H27N3O/c1-3-14-4-8-16(12-17,9-5-14)18-15(20)19-10-6-13(2)7-11-19/h13-14H,3-11H2,1-2H3,(H,18,20)
InChIKeyRJLSBSZRZFSQBB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.29
Rot. Bonds2

About N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide

N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide (PubChem CID 79160127) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide
PubChem CID79160127
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide
SMILESCCC1CCC(C#N)(NC(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C16H27N3O/c1-3-14-4-8-16(12-17,9-5-14)18-15(20)19-10-6-13(2)7-11-19/h13-14H,3-11H2,1-2H3,(H,18,20)
InChIKeyRJLSBSZRZFSQBB-UHFFFAOYSA-N
XLogP3.29
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide (CID 79160127) is N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide is CCC1CCC(C#N)(NC(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is RJLSBSZRZFSQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-14-4-8-16(12-17,9-5-14)18-15(20)19-10-6-13(2)7-11-19/h13-14H,3-11H2,1-2H3,(H,18,20).
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide?
N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79160127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).