N-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide

C15H25N3O — CID 116817089

IUPACN-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)N(C)C2CCC(C#N)CC2)C1
InChIInChI=1S/C15H25N3O/c1-17-9-3-4-13(11-17)15(19)18(2)14-7-5-12(10-16)6-8-14/h12-14H,3-9,11H2,1-2H3
InChIKeyUNZNLURWWZCTSG-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.87
Rot. Bonds2

About N-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide

N-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide (PubChem CID 116817089) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide
PubChem CID116817089
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)N(C)C2CCC(C#N)CC2)C1
InChIInChI=1S/C15H25N3O/c1-17-9-3-4-13(11-17)15(19)18(2)14-7-5-12(10-16)6-8-14/h12-14H,3-9,11H2,1-2H3
InChIKeyUNZNLURWWZCTSG-UHFFFAOYSA-N
XLogP1.87
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide
CID 115270234
(3S)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459471
(3R)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459454
3-methyl-2-[methyl-(1-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 110837306
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 115161473
3-(dimethylamino)-1-(1-methylpiperidin-3-yl)prop-2-yn-1-one
CID 116825573
N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide
CID 116817101
2-[methyl-(1-methylpiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978705
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide
CID 167892342
2-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 64824632
3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 110837310

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide?
The IUPAC name of N-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide (CID 116817089) is N-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide is CN1CCCC(C(=O)N(C)C2CCC(C#N)CC2)C1.
What is the InChIKey of N-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide?
The InChIKey is UNZNLURWWZCTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17-9-3-4-13(11-17)15(19)18(2)14-7-5-12(10-16)6-8-14/h12-14H,3-9,11H2,1-2H3.
What are the key properties of N-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide?
N-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 116817089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).