1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

C16H27F3N2O — CID 167064397

IUPAC1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCC1CN(C)C(C)CC1C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H27F3N2O/c1-10-9-21(3)11(2)8-14(10)15(22)20-13-6-4-12(5-7-13)16(17,18)19/h10-14H,4-9H2,1-3H3,(H,20,22)
InChIKeyKAYDBKHBEIOHEU-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.20
Rot. Bonds2

About 1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (PubChem CID 167064397) has the molecular formula C16H27F3N2O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
PubChem CID167064397
Molecular FormulaC16H27F3N2O
Molecular Weight320.40 g/mol
Exact Mass320.21
IUPAC Name1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCC1CN(C)C(C)CC1C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H27F3N2O/c1-10-9-21(3)11(2)8-14(10)15(22)20-13-6-4-12(5-7-13)16(17,18)19/h10-14H,4-9H2,1-3H3,(H,20,22)
InChIKeyKAYDBKHBEIOHEU-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (CID 167064397) is 1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is CC1CN(C)C(C)CC1C(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The InChIKey is KAYDBKHBEIOHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O/c1-10-9-21(3)11(2)8-14(10)15(22)20-13-6-4-12(5-7-13)16(17,18)19/h10-14H,4-9H2,1-3H3,(H,20,22).
What are the key properties of 1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 167064397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).