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

C19H20F4N4O — CID 91892468

IUPACN-[1-(4-fluorophenyl)ethyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H20F4N4O/c1-12(13-2-4-15(20)5-3-13)26-18(28)14-6-8-27(9-7-14)17-10-16(19(21,22)23)24-11-25-17/h2-5,10-12,14H,6-9H2,1H3,(H,26,28)
InChIKeyWDGFZQWWAKJNSJ-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.73
Rot. Bonds4

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

N-[1-(4-fluorophenyl)ethyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91892468) has the molecular formula C19H20F4N4O and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91892468
Molecular FormulaC19H20F4N4O
Molecular Weight396.39 g/mol
Exact Mass396.16
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H20F4N4O/c1-12(13-2-4-15(20)5-3-13)26-18(28)14-6-8-27(9-7-14)17-10-16(19(21,22)23)24-11-25-17/h2-5,10-12,14H,6-9H2,1H3,(H,26,28)
InChIKeyWDGFZQWWAKJNSJ-UHFFFAOYSA-N
XLogP3.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91892468) is N-[1-(4-fluorophenyl)ethyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is WDGFZQWWAKJNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O/c1-12(13-2-4-15(20)5-3-13)26-18(28)14-6-8-27(9-7-14)17-10-16(19(21,22)23)24-11-25-17/h2-5,10-12,14H,6-9H2,1H3,(H,26,28).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 396.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91892468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).