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

C25H24N4O2 — CID 112807549

IUPACN-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Nc1ccccc1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C25H24N4O2/c30-24(27-21-11-5-4-10-20(21)26-19-8-2-1-3-9-19)18-14-16-29(17-15-18)25-28-22-12-6-7-13-23(22)31-25/h1-13,18,26H,14-17H2,(H,27,30)
InChIKeyBISMQMLWUBIETD-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.43
Rot. Bonds5

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

N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide (PubChem CID 112807549) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
PubChem CID112807549
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Nc1ccccc1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C25H24N4O2/c30-24(27-21-11-5-4-10-20(21)26-19-8-2-1-3-9-19)18-14-16-29(17-15-18)25-28-22-12-6-7-13-23(22)31-25/h1-13,18,26H,14-17H2,(H,27,30)
InChIKeyBISMQMLWUBIETD-UHFFFAOYSA-N
XLogP5.43
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
CID 16590448
1-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17423416
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
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-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 30884800
1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 60576710
methyl 3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylbenzoate
CID 24684211
1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 16597479
N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 134010957
2-[3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]phenoxy]acetic acid
CID 119224677

Frequently Asked Questions

What is the IUPAC name of N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide (CID 112807549) is N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide is O=C(Nc1ccccc1Nc1ccccc1)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
The InChIKey is BISMQMLWUBIETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c30-24(27-21-11-5-4-10-20(21)26-19-8-2-1-3-9-19)18-14-16-29(17-15-18)25-28-22-12-6-7-13-23(22)31-25/h1-13,18,26H,14-17H2,(H,27,30).
What are the key properties of N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 112807549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).