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

C15H19N5O3 — CID 70712950

IUPAC1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)piperidine-4-carboxamide
SMILESNC(=O)CN1CCC(C(=O)NCc2ccc3nonc3c2)CC1
InChIInChI=1S/C15H19N5O3/c16-14(21)9-20-5-3-11(4-6-20)15(22)17-8-10-1-2-12-13(7-10)19-23-18-12/h1-2,7,11H,3-6,8-9H2,(H2,16,21)(H,17,22)
InChIKeyMWOKNPXCFUMCJV-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.04
Rot. Bonds5

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

1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)piperidine-4-carboxamide (PubChem CID 70712950) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)piperidine-4-carboxamide
PubChem CID70712950
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)piperidine-4-carboxamide
SMILESNC(=O)CN1CCC(C(=O)NCc2ccc3nonc3c2)CC1
InChIInChI=1S/C15H19N5O3/c16-14(21)9-20-5-3-11(4-6-20)15(22)17-8-10-1-2-12-13(7-10)19-23-18-12/h1-2,7,11H,3-6,8-9H2,(H2,16,21)(H,17,22)
InChIKeyMWOKNPXCFUMCJV-UHFFFAOYSA-N
XLogP0.04
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)piperidine-4-carboxamide (CID 70712950) is 1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)piperidine-4-carboxamide is NC(=O)CN1CCC(C(=O)NCc2ccc3nonc3c2)CC1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)piperidine-4-carboxamide?
The InChIKey is MWOKNPXCFUMCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c16-14(21)9-20-5-3-11(4-6-20)15(22)17-8-10-1-2-12-13(7-10)19-23-18-12/h1-2,7,11H,3-6,8-9H2,(H2,16,21)(H,17,22).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)piperidine-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 70712950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).