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

C18H19F3N4O — CID 91892456

IUPACN-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-10-16(24-12-23-15)25-8-6-14(7-9-25)17(26)22-11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,22,26)
InChIKeyMTMRMFAHMINEOB-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.03
Rot. Bonds4

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

N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91892456) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91892456
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC NameN-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-10-16(24-12-23-15)25-8-6-14(7-9-25)17(26)22-11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,22,26)
InChIKeyMTMRMFAHMINEOB-UHFFFAOYSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892464
N-[(3,5-difluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892463
N-(2-thiophen-2-ylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892471
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 90519014
N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892475
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90518966
N-[(4-methylsulfanylphenyl)methyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062037
1-[1-[6-(benzylamino)pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoroethanone
CID 166248370
N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9041027
1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 53062051
N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 171704924

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91892456) is N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is MTMRMFAHMINEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)15-10-16(24-12-23-15)25-8-6-14(7-9-25)17(26)22-11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,22,26).
What are the key properties of N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91892456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).