N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide

C17H22N4O4 — CID 74249390

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)N(C)Cc2ccc3nonc3c2)CC1
InChIInChI=1S/C17H22N4O4/c1-20(10-12-3-4-14-15(9-12)19-25-18-14)17(23)13-5-7-21(8-6-13)16(22)11-24-2/h3-4,9,13H,5-8,10-11H2,1-2H3
InChIKeyZKNRZILBSYFBMU-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.07
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide (PubChem CID 74249390) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide
PubChem CID74249390
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)N(C)Cc2ccc3nonc3c2)CC1
InChIInChI=1S/C17H22N4O4/c1-20(10-12-3-4-14-15(9-12)19-25-18-14)17(23)13-5-7-21(8-6-13)16(22)11-24-2/h3-4,9,13H,5-8,10-11H2,1-2H3
InChIKeyZKNRZILBSYFBMU-UHFFFAOYSA-N
XLogP1.07
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 131922182
(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97191126
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631044
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45167949
1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 32544635
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide
CID 118774253
(3R,6S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,1-dimethyl-6-(4-methylpentanoylamino)azepane-3-carboxamide
CID 176502898
N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901386
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712469
tert-butyl 4-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 31189919
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
CID 97203898
1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55719859

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide (CID 74249390) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide is COCC(=O)N1CCC(C(=O)N(C)Cc2ccc3nonc3c2)CC1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is ZKNRZILBSYFBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-20(10-12-3-4-14-15(9-12)19-25-18-14)17(23)13-5-7-21(8-6-13)16(22)11-24-2/h3-4,9,13H,5-8,10-11H2,1-2H3.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 74249390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).