4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide

C21H23N3O2 — CID 644531

IUPAC4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C21H23N3O2/c1-14-6-5-7-15(2)19(14)23-21(25)24-12-10-16(11-13-24)20-22-17-8-3-4-9-18(17)26-20/h3-9,16H,10-13H2,1-2H3,(H,23,25)
InChIKeyZGFILDIIFVQLHD-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.86
Rot. Bonds2

About 4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide

4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide (PubChem CID 644531) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
PubChem CID644531
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C21H23N3O2/c1-14-6-5-7-15(2)19(14)23-21(25)24-12-10-16(11-13-24)20-22-17-8-3-4-9-18(17)26-20/h3-9,16H,10-13H2,1-2H3,(H,23,25)
InChIKeyZGFILDIIFVQLHD-UHFFFAOYSA-N
XLogP4.86
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 1429802
4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940
4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide
CID 126447658
N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide
CID 44753677
4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide
CID 18532742
ethyl 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoacetate
CID 21007968
3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 75131700
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 46663861
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94123933
4-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 38202837
4-(1,3-benzoxazol-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 55798834
4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 86912723

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide (CID 644531) is 4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide is Cc1cccc(C)c1NC(=O)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide?
The InChIKey is ZGFILDIIFVQLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-6-5-7-15(2)19(14)23-21(25)24-12-10-16(11-13-24)20-22-17-8-3-4-9-18(17)26-20/h3-9,16H,10-13H2,1-2H3,(H,23,25).
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide?
4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 644531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).