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

C18H18F4N4O — CID 91809824

IUPAC4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCc1nc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H18F4N4O/c1-11-23-15(18(20,21)22)10-16(24-11)26-8-6-14(7-9-26)25-17(27)12-2-4-13(19)5-3-12/h2-5,10,14H,6-9H2,1H3,(H,25,27)
InChIKeyGSSLMDKITZJHAB-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.34
Rot. Bonds3

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

4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (PubChem CID 91809824) has the molecular formula C18H18F4N4O and a molecular weight of 382.36 g/mol. Its IUPAC name is 4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
PubChem CID91809824
Molecular FormulaC18H18F4N4O
Molecular Weight382.36 g/mol
Exact Mass382.14
IUPAC Name4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCc1nc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H18F4N4O/c1-11-23-15(18(20,21)22)10-16(24-11)26-8-6-14(7-9-26)25-17(27)12-2-4-13(19)5-3-12/h2-5,10,14H,6-9H2,1H3,(H,25,27)
InChIKeyGSSLMDKITZJHAB-UHFFFAOYSA-N
XLogP3.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91892415
3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 91631465
N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 91631454
5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide
CID 91631451
5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 91817801
N-(4-methylcyclohexyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892478
(2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide
CID 99754105
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 71977383
(E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide
CID 91809810
N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
CID 91631444
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 102549339
2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide
CID 55708584

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (CID 91809824) is 4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is Cc1nc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The InChIKey is GSSLMDKITZJHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N4O/c1-11-23-15(18(20,21)22)10-16(24-11)26-8-6-14(7-9-26)25-17(27)12-2-4-13(19)5-3-12/h2-5,10,14H,6-9H2,1H3,(H,25,27).
What are the key properties of 4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide has a molecular weight of 382.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 91809824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).