N-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C20H18F3N3O2 — CID 11718047

IUPACN-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2cnoc2c1)C1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)15-2-5-17(6-3-15)26-9-7-13(8-10-26)19(27)25-16-4-1-14-12-24-28-18(14)11-16/h1-6,11-13H,7-10H2,(H,25,27)
InChIKeyJDMDTTKEBRCEGL-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.70
Rot. Bonds3

About N-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

N-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 11718047) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID11718047
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC NameN-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2cnoc2c1)C1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)15-2-5-17(6-3-15)26-9-7-13(8-10-26)19(27)25-16-4-1-14-12-24-28-18(14)11-16/h1-6,11-13H,7-10H2,(H,25,27)
InChIKeyJDMDTTKEBRCEGL-UHFFFAOYSA-N
XLogP4.70
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 11718047) is N-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc2cnoc2c1)C1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is JDMDTTKEBRCEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c21-20(22,23)15-2-5-17(6-3-15)26-9-7-13(8-10-26)19(27)25-16-4-1-14-12-24-28-18(14)11-16/h1-6,11-13H,7-10H2,(H,25,27).
What are the key properties of N-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
N-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-6-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 11718047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).