1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide

C20H27N3O3 — CID 47055287

IUPAC1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)Nc2ccc3oc(C(C)C)nc3c2)C1
InChIInChI=1S/C20H27N3O3/c1-12(2)19-22-16-10-15(7-8-17(16)26-19)21-18(24)14-6-5-9-23(11-14)20(25)13(3)4/h7-8,10,12-14H,5-6,9,11H2,1-4H3,(H,21,24)
InChIKeyWIIRFVJMGCJXHL-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.78
Rot. Bonds4

About 1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide

1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide (PubChem CID 47055287) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
PubChem CID47055287
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)Nc2ccc3oc(C(C)C)nc3c2)C1
InChIInChI=1S/C20H27N3O3/c1-12(2)19-22-16-10-15(7-8-17(16)26-19)21-18(24)14-6-5-9-23(11-14)20(25)13(3)4/h7-8,10,12-14H,5-6,9,11H2,1-4H3,(H,21,24)
InChIKeyWIIRFVJMGCJXHL-UHFFFAOYSA-N
XLogP3.78
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 94146559
1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
CID 43066360
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066391
(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 51937786
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide
CID 167806781
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide
CID 82896929
4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46460476
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
CID 119275697
(3S)-N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 52519571
(3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 38747759
(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 51941064

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide (CID 47055287) is 1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide is CC(C)C(=O)N1CCCC(C(=O)Nc2ccc3oc(C(C)C)nc3c2)C1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide?
The InChIKey is WIIRFVJMGCJXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-12(2)19-22-16-10-15(7-8-17(16)26-19)21-18(24)14-6-5-9-23(11-14)20(25)13(3)4/h7-8,10,12-14H,5-6,9,11H2,1-4H3,(H,21,24).
What are the key properties of 1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide?
1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 47055287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).