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

C25H22F2N4O2 — CID 47063538

IUPAC1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C25H22F2N4O2/c26-18-8-9-22(20(27)15-18)31(16-19-5-3-4-12-28-19)24(32)17-10-13-30(14-11-17)25-29-21-6-1-2-7-23(21)33-25/h1-9,12,15,17H,10-11,13-14,16H2
InChIKeyDHEBCXAECPZAED-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.95
Rot. Bonds5

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

1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 47063538) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID47063538
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C25H22F2N4O2/c26-18-8-9-22(20(27)15-18)31(16-19-5-3-4-12-28-19)24(32)17-10-13-30(14-11-17)25-29-21-6-1-2-7-23(21)33-25/h1-9,12,15,17H,10-11,13-14,16H2
InChIKeyDHEBCXAECPZAED-UHFFFAOYSA-N
XLogP4.95
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55890519
1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide
CID 24584534
(3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 16590590
1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 154817860
2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55888858
(E)-3-(1,3-benzothiazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 55889362
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 16592732
1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 71905916
1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 34581496
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-ethylamino]propanoic acid
CID 119190939

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 47063538) is 1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccccn1)c1ccc(F)cc1F.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is DHEBCXAECPZAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c26-18-8-9-22(20(27)15-18)31(16-19-5-3-4-12-28-19)24(32)17-10-13-30(14-11-17)25-29-21-6-1-2-7-23(21)33-25/h1-9,12,15,17H,10-11,13-14,16H2.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 47063538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).