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

C20H21N3O2 — CID 17421563

IUPAC1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
InChIInChI=1S/C20H21N3O2/c1-14-5-4-6-16(13-14)21-19(24)15-9-11-23(12-10-15)20-22-17-7-2-3-8-18(17)25-20/h2-8,13,15H,9-12H2,1H3,(H,21,24)
InChIKeyKRCGATMFDACXJL-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.99
Rot. Bonds3

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

1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide (PubChem CID 17421563) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
PubChem CID17421563
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
InChIInChI=1S/C20H21N3O2/c1-14-5-4-6-16(13-14)21-19(24)15-9-11-23(12-10-15)20-22-17-7-2-3-8-18(17)25-20/h2-8,13,15H,9-12H2,1H3,(H,21,24)
InChIKeyKRCGATMFDACXJL-UHFFFAOYSA-N
XLogP3.99
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 17428124
1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide
CID 34837675
1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
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-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 16594434
1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide
CID 24598690
N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 134010957
N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119516216
1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
CID 134012022

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide (CID 17421563) is 1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The InChIKey is KRCGATMFDACXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-5-4-6-16(13-14)21-19(24)15-9-11-23(12-10-15)20-22-17-7-2-3-8-18(17)25-20/h2-8,13,15H,9-12H2,1H3,(H,21,24).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17421563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).