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

C21H22N4O3 — CID 17428124

IUPACN-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
InChIInChI=1S/C21H22N4O3/c1-14(26)22-16-5-4-6-17(13-16)23-20(27)15-9-11-25(12-10-15)21-24-18-7-2-3-8-19(18)28-21/h2-8,13,15H,9-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyPLOFTBUZVVFKSQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.64
Rot. Bonds4

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

N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide (PubChem CID 17428124) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
PubChem CID17428124
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
InChIInChI=1S/C21H22N4O3/c1-14(26)22-16-5-4-6-17(13-16)23-20(27)15-9-11-25(12-10-15)21-24-18-7-2-3-8-19(18)28-21/h2-8,13,15H,9-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyPLOFTBUZVVFKSQ-UHFFFAOYSA-N
XLogP3.64
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 134010957
1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide
CID 34837675
2-[3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]phenoxy]acetic acid
CID 119224677
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 112807549
N-(3-amino-4-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119420166
1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide
CID 24598690
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
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 N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide (CID 17428124) is N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
The InChIKey is PLOFTBUZVVFKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14(26)22-16-5-4-6-17(13-16)23-20(27)15-9-11-25(12-10-15)21-24-18-7-2-3-8-19(18)28-21/h2-8,13,15H,9-12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 17428124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).