N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C20H21N5O3 — CID 45167949

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)C1CCC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C20H21N5O3/c1-24(11-14-5-7-17-18(10-14)23-28-22-17)20(27)15-6-8-19(26)25(12-15)13-16-4-2-3-9-21-16/h2-5,7,9-10,15H,6,8,11-13H2,1H3
InChIKeyUGBCUQIRSOQANI-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.02
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 45167949) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID45167949
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)C1CCC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C20H21N5O3/c1-24(11-14-5-7-17-18(10-14)23-28-22-17)20(27)15-6-8-19(26)25(12-15)13-16-4-2-3-9-21-16/h2-5,7,9-10,15H,6,8,11-13H2,1H3
InChIKeyUGBCUQIRSOQANI-UHFFFAOYSA-N
XLogP2.02
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 25288089
(3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97134382
(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 25288010
(3R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97128790
(3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 26404499
(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97191126
1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 131922182
2-methyl-5-[[methyl-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125150247
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide
CID 74249390
1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 45192902
1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24791442
N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24791223

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 45167949) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is CN(Cc1ccc2nonc2c1)C(=O)C1CCC(=O)N(Cc2ccccn2)C1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is UGBCUQIRSOQANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-24(11-14-5-7-17-18(10-14)23-28-22-17)20(27)15-6-8-19(26)25(12-15)13-16-4-2-3-9-21-16/h2-5,7,9-10,15H,6,8,11-13H2,1H3.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.02, 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)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45167949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).