2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

C16H27F3N2O — CID 167064681

IUPAC2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCCC1CC(C(=O)NC2CCC(C(F)(F)F)CC2)CCN1C
InChIInChI=1S/C16H27F3N2O/c1-3-14-10-11(8-9-21(14)2)15(22)20-13-6-4-12(5-7-13)16(17,18)19/h11-14H,3-10H2,1-2H3,(H,20,22)
InChIKeyPPOUXXHSKWDZTP-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.34
Rot. Bonds3

About 2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (PubChem CID 167064681) has the molecular formula C16H27F3N2O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
PubChem CID167064681
Molecular FormulaC16H27F3N2O
Molecular Weight320.40 g/mol
Exact Mass320.21
IUPAC Name2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCCC1CC(C(=O)NC2CCC(C(F)(F)F)CC2)CCN1C
InChIInChI=1S/C16H27F3N2O/c1-3-14-10-11(8-9-21(14)2)15(22)20-13-6-4-12(5-7-13)16(17,18)19/h11-14H,3-10H2,1-2H3,(H,20,22)
InChIKeyPPOUXXHSKWDZTP-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-((1-isopropylpiperidin-4-yl)methyl)cyclohexanecarboxamide
CID 16895432
N-(1-methylpiperidin-4-yl)cyclohexanecarboxamide
CID 10775538
3-cyclohexyl-N-(1-propylpiperidin-4-yl)propanamide
CID 17250115
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylacetamide
CID 46295192
N-[4-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 40138363
2-[4-(4-methylcyclohexyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 145890903
2-Amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 10106678
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
N-ethyl-2-piperazin-1-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 49854191
2,2,2-trifluoro-N-[3-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide
CID 57191141
(S)-(4,4-difluorocyclohexyl)(2-methylpiperazin-1-yl)methanone
CID 57657633

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (CID 167064681) is 2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is CCC1CC(C(=O)NC2CCC(C(F)(F)F)CC2)CCN1C.
What is the InChIKey of 2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The InChIKey is PPOUXXHSKWDZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O/c1-3-14-10-11(8-9-21(14)2)15(22)20-13-6-4-12(5-7-13)16(17,18)19/h11-14H,3-10H2,1-2H3,(H,20,22).
What are the key properties of 2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 167064681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).