N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

C16H17F3N4O2 — CID 2796311

IUPACN-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)13-3-6-20-15(22-13)23-7-4-11(5-8-23)14(24)21-10-12-2-1-9-25-12/h1-3,6,9,11H,4-5,7-8,10H2,(H,21,24)
InChIKeyZKTBXJCZEVZFFD-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.62
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 2796311) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID2796311
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC NameN-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)13-3-6-20-15(22-13)23-7-4-11(5-8-23)14(24)21-10-12-2-1-9-25-12/h1-3,6,9,11H,4-5,7-8,10H2,(H,21,24)
InChIKeyZKTBXJCZEVZFFD-UHFFFAOYSA-N
XLogP2.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-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-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 2796311) is N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is ZKTBXJCZEVZFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)13-3-6-20-15(22-13)23-7-4-11(5-8-23)14(24)21-10-12-2-1-9-25-12/h1-3,6,9,11H,4-5,7-8,10H2,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 2796311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).