N-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide

C14H24F2N2O — CID 163295167

IUPACN-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2CCC(C(F)F)CC2)CC1
InChIInChI=1S/C14H24F2N2O/c1-18-8-6-11(7-9-18)14(19)17-12-4-2-10(3-5-12)13(15)16/h10-13H,2-9H2,1H3,(H,17,19)
InChIKeySZHSQYDHRFOQDS-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.27
Rot. Bonds3

About N-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide

N-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide (PubChem CID 163295167) has the molecular formula C14H24F2N2O and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide
PubChem CID163295167
Molecular FormulaC14H24F2N2O
Molecular Weight274.35 g/mol
Exact Mass274.19
IUPAC NameN-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2CCC(C(F)F)CC2)CC1
InChIInChI=1S/C14H24F2N2O/c1-18-8-6-11(7-9-18)14(19)17-12-4-2-10(3-5-12)13(15)16/h10-13H,2-9H2,1H3,(H,17,19)
InChIKeySZHSQYDHRFOQDS-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-N-(4-methylcyclohexyl)propanamide
CID 45806657
2,2,2-trifluoro-N-(4-methylcyclohexyl)acetamide
CID 13811892
2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 60727758
1-(4-Ethylcyclohexyl)-4-piperidinecarboxamide
CID 756180
1-(cyclohexylmethyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 2903424
N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide
CID 86793835
2-[4-(4-methylcyclohexyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 145890903
N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 297483
n-Cyclohexylpiperidine-4-carboxamide
CID 12410238
cis-4-Trifluoroacetylaminomethylcyclohexylamine
CID 22667927
2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide
CID 22849533
N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 43712669

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide (CID 163295167) is N-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NC2CCC(C(F)F)CC2)CC1.
What is the InChIKey of N-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is SZHSQYDHRFOQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O/c1-18-8-6-11(7-9-18)14(19)17-12-4-2-10(3-5-12)13(15)16/h10-13H,2-9H2,1H3,(H,17,19).
What are the key properties of N-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide?
N-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 163295167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).