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

C18H18F4N4O — CID 91908809

IUPACN-[(4-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H18F4N4O/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)
InChIKeyBBAKHNOUKIHYGS-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.17
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91908809) has the molecular formula C18H18F4N4O and a molecular weight of 382.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91908809
Molecular FormulaC18H18F4N4O
Molecular Weight382.36 g/mol
Exact Mass382.14
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H18F4N4O/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)
InChIKeyBBAKHNOUKIHYGS-UHFFFAOYSA-N
XLogP3.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91908809) is N-[(4-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is BBAKHNOUKIHYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N4O/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-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 382.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91908809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).