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

C21H23N3O2 — CID 1429802

IUPAC4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C21H23N3O2/c1-2-15-7-3-4-8-17(15)23-21(25)24-13-11-16(12-14-24)20-22-18-9-5-6-10-19(18)26-20/h3-10,16H,2,11-14H2,1H3,(H,23,25)
InChIKeyOPQNYKDQGSQDBN-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.80
Rot. Bonds3

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

4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide (PubChem CID 1429802) 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-ethylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
PubChem CID1429802
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C21H23N3O2/c1-2-15-7-3-4-8-17(15)23-21(25)24-13-11-16(12-14-24)20-22-18-9-5-6-10-19(18)26-20/h3-10,16H,2,11-14H2,1H3,(H,23,25)
InChIKeyOPQNYKDQGSQDBN-UHFFFAOYSA-N
XLogP4.80
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940
4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 644531
N-(2-ethylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760971
4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 86912723
4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 55330126
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
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-bromobutan-1-one
CID 62856831
4-(1,3-benzoxazol-2-yl)-N-ethylpiperidine-1-carbothioamide
CID 43815862
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
4-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 38202837

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide (CID 1429802) is 4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide is CCc1ccccc1NC(=O)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide?
The InChIKey is OPQNYKDQGSQDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-15-7-3-4-8-17(15)23-21(25)24-13-11-16(12-14-24)20-22-18-9-5-6-10-19(18)26-20/h3-10,16H,2,11-14H2,1H3,(H,23,25).
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide?
4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.80, 3 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-ethylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 1429802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).