N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide

C17H32N2O — CID 107176802

IUPACN,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCN(CCC1CCNCC1)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C17H32N2O/c1-17(2)10-5-4-6-15(17)16(20)19(3)13-9-14-7-11-18-12-8-14/h14-15,18H,4-13H2,1-3H3
InChIKeyNUHZLLFDFNDFPR-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.05
Rot. Bonds4

About N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide

N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide (PubChem CID 107176802) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide
PubChem CID107176802
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCN(CCC1CCNCC1)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C17H32N2O/c1-17(2)10-5-4-6-15(17)16(20)19(3)13-9-14-7-11-18-12-8-14/h14-15,18H,4-13H2,1-3H3
InChIKeyNUHZLLFDFNDFPR-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 106441463
N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide
CID 107176010
methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate
CID 107181232
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide
CID 107180947
methyl(2-piperidin-4-ylethyl)carbamic acid
CID 69061019
N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107180341
N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 107174465
N-(2-cyclopentylethyl)-N-methyl-2-pyrrolidin-3-ylacetamide
CID 115160413
N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104919962
N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
CID 107176121
N-(2-hydroxypropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104918373

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide (CID 107176802) is N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide is CN(CCC1CCNCC1)C(=O)C1CCCCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is NUHZLLFDFNDFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-17(2)10-5-4-6-15(17)16(20)19(3)13-9-14-7-11-18-12-8-14/h14-15,18H,4-13H2,1-3H3.
What are the key properties of N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide?
N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107176802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).