N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide

C18H22N4O3 — CID 72930205

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc2nonc2c1)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H22N4O3/c23-17(19-11-12-4-5-15-16(10-12)21-25-20-15)13-6-8-22(9-7-13)18(24)14-2-1-3-14/h4-5,10,13-14H,1-3,6-9,11H2,(H,19,23)
InChIKeyGBWYWSDSRXWJHZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.88
Rot. Bonds4

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide (PubChem CID 72930205) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
PubChem CID72930205
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc2nonc2c1)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H22N4O3/c23-17(19-11-12-4-5-15-16(10-12)21-25-20-15)13-6-8-22(9-7-13)18(24)14-2-1-3-14/h4-5,10,13-14H,1-3,6-9,11H2,(H,19,23)
InChIKeyGBWYWSDSRXWJHZ-UHFFFAOYSA-N
XLogP1.88
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide (CID 72930205) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide is O=C(NCc1ccc2nonc2c1)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide?
The InChIKey is GBWYWSDSRXWJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(19-11-12-4-5-15-16(10-12)21-25-20-15)13-6-8-22(9-7-13)18(24)14-2-1-3-14/h4-5,10,13-14H,1-3,6-9,11H2,(H,19,23).
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 72930205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).