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

C20H20BrN3O2 — CID 34837675

IUPAC1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1Br
InChIInChI=1S/C20H20BrN3O2/c1-13-12-15(6-7-16(13)21)22-19(25)14-8-10-24(11-9-14)20-23-17-4-2-3-5-18(17)26-20/h2-7,12,14H,8-11H2,1H3,(H,22,25)
InChIKeyRUUOWNBFBSUJJB-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.75
Rot. Bonds3

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

1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide (PubChem CID 34837675) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide
PubChem CID34837675
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1Br
InChIInChI=1S/C20H20BrN3O2/c1-13-12-15(6-7-16(13)21)22-19(25)14-8-10-24(11-9-14)20-23-17-4-2-3-5-18(17)26-20/h2-7,12,14H,8-11H2,1H3,(H,22,25)
InChIKeyRUUOWNBFBSUJJB-UHFFFAOYSA-N
XLogP4.75
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
N-(3-amino-4-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119420166
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 134010957
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-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 16594434
1-(1,3-benzoxazol-2-yl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)piperidine-4-carboxamide
CID 16596057
1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 134036511
N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 112807549

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide (CID 34837675) is 1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1Br.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide?
The InChIKey is RUUOWNBFBSUJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-13-12-15(6-7-16(13)21)22-19(25)14-8-10-24(11-9-14)20-23-17-4-2-3-5-18(17)26-20/h2-7,12,14H,8-11H2,1H3,(H,22,25).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide has a molecular weight of 414.30 g/mol, XLogP of 4.75, 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-(4-bromo-3-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 34837675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).