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

C19H27F3N4O — CID 91892411

IUPAC2-cyclohexyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCc1nc(N2CCC(NC(=O)CC3CCCCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H27F3N4O/c1-13-23-16(19(20,21)22)12-17(24-13)26-9-7-15(8-10-26)25-18(27)11-14-5-3-2-4-6-14/h12,14-15H,2-11H2,1H3,(H,25,27)
InChIKeyDDTRELOGDDXRBS-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.86
Rot. Bonds4

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

2-cyclohexyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 91892411) has the molecular formula C19H27F3N4O and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID91892411
Molecular FormulaC19H27F3N4O
Molecular Weight384.45 g/mol
Exact Mass384.21
IUPAC Name2-cyclohexyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCc1nc(N2CCC(NC(=O)CC3CCCCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H27F3N4O/c1-13-23-16(19(20,21)22)12-17(24-13)26-9-7-15(8-10-26)25-18(27)11-14-5-3-2-4-6-14/h12,14-15H,2-11H2,1H3,(H,25,27)
InChIKeyDDTRELOGDDXRBS-UHFFFAOYSA-N
XLogP3.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.86
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
9-(2-Amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70756233
N-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72850778
N-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 72872940

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 91892411) is 2-cyclohexyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is Cc1nc(N2CCC(NC(=O)CC3CCCCC3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-cyclohexyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is DDTRELOGDDXRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O/c1-13-23-16(19(20,21)22)12-17(24-13)26-9-7-15(8-10-26)25-18(27)11-14-5-3-2-4-6-14/h12,14-15H,2-11H2,1H3,(H,25,27).
What are the key properties of 2-cyclohexyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
2-cyclohexyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 384.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91892411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).