4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide

C19H17F2N3O2 — CID 1430631

IUPAC4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C19H17F2N3O2/c20-13-5-6-15(14(21)11-13)23-19(25)24-9-7-12(8-10-24)18-22-16-3-1-2-4-17(16)26-18/h1-6,11-12H,7-10H2,(H,23,25)
InChIKeyDZEZCDQXFAVQAR-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.52
Rot. Bonds2

About 4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide

4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide (PubChem CID 1430631) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
PubChem CID1430631
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C19H17F2N3O2/c20-13-5-6-15(14(21)11-13)23-19(25)24-9-7-12(8-10-24)18-22-16-3-1-2-4-17(16)26-18/h1-6,11-12H,7-10H2,(H,23,25)
InChIKeyDZEZCDQXFAVQAR-UHFFFAOYSA-N
XLogP4.52
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide (CID 1430631) is 4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
The InChIKey is DZEZCDQXFAVQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c20-13-5-6-15(14(21)11-13)23-19(25)24-9-7-12(8-10-24)18-22-16-3-1-2-4-17(16)26-18/h1-6,11-12H,7-10H2,(H,23,25).
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 1430631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).