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

C18H18ClF3N4O — CID 91892464

IUPACN-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H18ClF3N4O/c19-14-3-1-12(2-4-14)10-23-17(27)13-5-7-26(8-6-13)16-9-15(18(20,21)22)24-11-25-16/h1-4,9,11,13H,5-8,10H2,(H,23,27)
InChIKeyCFJLAGYFMNTFRJ-UHFFFAOYSA-N
MW398.82 g/mol
LogP3.68
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91892464) has the molecular formula C18H18ClF3N4O and a molecular weight of 398.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91892464
Molecular FormulaC18H18ClF3N4O
Molecular Weight398.82 g/mol
Exact Mass398.11
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H18ClF3N4O/c19-14-3-1-12(2-4-14)10-23-17(27)13-5-7-26(8-6-13)16-9-15(18(20,21)22)24-11-25-16/h1-4,9,11,13H,5-8,10H2,(H,23,27)
InChIKeyCFJLAGYFMNTFRJ-UHFFFAOYSA-N
XLogP3.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892456
N-[(3,5-difluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892463
N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 56764930
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892475
N-(3-chloro-4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892451
N-(2-thiophen-2-ylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892471
N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362689
1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 90600518
N-[(4-fluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600328
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 171704924

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91892464) is N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is CFJLAGYFMNTFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O/c19-14-3-1-12(2-4-14)10-23-17(27)13-5-7-26(8-6-13)16-9-15(18(20,21)22)24-11-25-16/h1-4,9,11,13H,5-8,10H2,(H,23,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 398.82 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91892464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).