N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide

C18H25F3N4O — CID 91809780

IUPACN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCc1nc(N2CCC(NC(=O)C3CCCCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H25F3N4O/c1-12-22-15(18(19,20)21)11-16(23-12)25-9-7-14(8-10-25)24-17(26)13-5-3-2-4-6-13/h11,13-14H,2-10H2,1H3,(H,24,26)
InChIKeyGZMGGQQHMYSGFU-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.47
Rot. Bonds3

About N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 91809780) has the molecular formula C18H25F3N4O and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID91809780
Molecular FormulaC18H25F3N4O
Molecular Weight370.42 g/mol
Exact Mass370.20
IUPAC NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCc1nc(N2CCC(NC(=O)C3CCCCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H25F3N4O/c1-12-22-15(18(19,20)21)11-16(23-12)25-9-7-14(8-10-25)24-17(26)13-5-3-2-4-6-13/h11,13-14H,2-10H2,1H3,(H,24,26)
InChIKeyGZMGGQQHMYSGFU-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-(cyclohexylmethyl)urea
CID 44409730
(2S)-2-[[2-(cyclohexylmethylamino)-6-methylpyrimidin-4-yl]amino]-N-cyclopentyl-4-methylpentanamide;2,2,2-trifluoroacetic acid
CID 44528128
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-cyclohexylpiperazine-1-carboxamide
CID 73669894
N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892455
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclohexylmethyl-amide
CID 653492
N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809779
N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809845
N-cyclooctyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809897
Cyclohexyl(4-(6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 53047578
(4aS*,8aR*)-1-[2-(methylamino)ethyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56882488
9-(2-Amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70756233
2-Cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70771390

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide (CID 91809780) is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide is Cc1nc(N2CCC(NC(=O)C3CCCCC3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is GZMGGQQHMYSGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O/c1-12-22-15(18(19,20)21)11-16(23-12)25-9-7-14(8-10-25)24-17(26)13-5-3-2-4-6-13/h11,13-14H,2-10H2,1H3,(H,24,26).
What are the key properties of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 91809780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).