2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide

C18H19F3N3O+ — CID 6941836

IUPAC2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc[nH+]c1N1CCCCC1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)13-6-4-7-14(12-13)23-17(25)15-8-5-9-22-16(15)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11H2,(H,23,25)/p+1
InChIKeyVLFFLWKKPILFSY-UHFFFAOYSA-O
MW350.36 g/mol
LogP3.76
Rot. Bonds3

About 2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide

2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide (PubChem CID 6941836) has the molecular formula C18H19F3N3O+ and a molecular weight of 350.36 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide
PubChem CID6941836
Molecular FormulaC18H19F3N3O+
Molecular Weight350.36 g/mol
Exact Mass350.15
IUPAC Name2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc[nH+]c1N1CCCCC1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)13-6-4-7-14(12-13)23-17(25)15-8-5-9-22-16(15)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11H2,(H,23,25)/p+1
InChIKeyVLFFLWKKPILFSY-UHFFFAOYSA-O
XLogP3.76
TPSA46.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 20959316
4-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 109049168
1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 1065174
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
CID 56593317
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916
1-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 1065396
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816
4-(azepan-1-yl)-3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2948444
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
2-acetyl-N-[3-(trifluoromethyl)phenyl]diazinane-1-carboxamide
CID 139071679
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide?
The IUPAC name of 2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide (CID 6941836) is 2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide.
What is the SMILES notation for 2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide?
The canonical SMILES for 2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc[nH+]c1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide?
The InChIKey is VLFFLWKKPILFSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18F3N3O/c19-18(20,21)13-6-4-7-14(12-13)23-17(25)15-8-5-9-22-16(15)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11H2,(H,23,25)/p+1.
What are the key properties of 2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide?
2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide has a molecular weight of 350.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide is sourced from PubChem (CID 6941836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).