1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide

C18H18N4O2 — CID 25337579

IUPAC1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccncc1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C18H18N4O2/c23-17(20-14-5-9-19-10-6-14)13-7-11-22(12-8-13)18-21-15-3-1-2-4-16(15)24-18/h1-6,9-10,13H,7-8,11-12H2,(H,19,20,23)
InChIKeyVTIWYDGDODQCOR-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.08
Rot. Bonds3

About 1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 25337579) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID25337579
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccncc1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C18H18N4O2/c23-17(20-14-5-9-19-10-6-14)13-7-11-22(12-8-13)18-21-15-3-1-2-4-16(15)24-18/h1-6,9-10,13H,7-8,11-12H2,(H,19,20,23)
InChIKeyVTIWYDGDODQCOR-UHFFFAOYSA-N
XLogP3.08
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 17428124
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide
CID 34837675
N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 112807549
N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119516216
1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
CID 16590448
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 16599200
1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide
CID 24598690
2-[3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]phenoxy]acetic acid
CID 119224677
N-(3-amino-4-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119420166
2-[4-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696424

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide (CID 25337579) is 1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide is O=C(Nc1ccncc1)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is VTIWYDGDODQCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-17(20-14-5-9-19-10-6-14)13-7-11-22(12-8-13)18-21-15-3-1-2-4-16(15)24-18/h1-6,9-10,13H,7-8,11-12H2,(H,19,20,23).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 25337579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).