N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

C18H25F3N4O — CID 91809779

IUPACN-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)CC1
InChIInChI=1S/C18H25F3N4O/c1-12-2-4-14(5-3-12)24-17(26)13-6-8-25(9-7-13)16-10-15(18(19,20)21)22-11-23-16/h10-14H,2-9H2,1H3,(H,24,26)
InChIKeyCYBGTJQTYRBVKA-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.41
Rot. Bonds3

About N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91809779) has the molecular formula C18H25F3N4O and a molecular weight of 370.42 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91809779
Molecular FormulaC18H25F3N4O
Molecular Weight370.42 g/mol
Exact Mass370.20
IUPAC NameN-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)CC1
InChIInChI=1S/C18H25F3N4O/c1-12-2-4-14(5-3-12)24-17(26)13-6-8-25(9-7-13)16-10-15(18(19,20)21)22-11-23-16/h10-14H,2-9H2,1H3,(H,24,26)
InChIKeyCYBGTJQTYRBVKA-UHFFFAOYSA-N
XLogP3.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91809779) is N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is CC1CCC(NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is CYBGTJQTYRBVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O/c1-12-2-4-14(5-3-12)24-17(26)13-6-8-25(9-7-13)16-10-15(18(19,20)21)22-11-23-16/h10-14H,2-9H2,1H3,(H,24,26).
What are the key properties of N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91809779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).