N-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C15H18F3N3O — CID 51102592

IUPACN-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)12-4-1-5-13(20-12)21-8-2-3-10(9-21)14(22)19-11-6-7-11/h1,4-5,10-11H,2-3,6-9H2,(H,19,22)
InChIKeyBGMMQVHBFKULOX-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.60
Rot. Bonds3

About N-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

N-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 51102592) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is N-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID51102592
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC NameN-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)12-4-1-5-13(20-12)21-8-2-3-10(9-21)14(22)19-11-6-7-11/h1,4-5,10-11H,2-3,6-9H2,(H,19,22)
InChIKeyBGMMQVHBFKULOX-UHFFFAOYSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
CID 25123380
2-(2,6-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
CID 25123382
2-(2,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
CID 25123708
2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 25123711
2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 164613087
2-(2,3-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 164614946
2-(2-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 164616191
2-(2,3-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 164617056
2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 164621662
2-(2,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 164623187
2-(2-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 164624177
2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 164626356

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 51102592) is N-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(c2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is BGMMQVHBFKULOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c16-15(17,18)12-4-1-5-13(20-12)21-8-2-3-10(9-21)14(22)19-11-6-7-11/h1,4-5,10-11H,2-3,6-9H2,(H,19,22).
What are the key properties of N-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
N-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 51102592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).