4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

C20H21N5O2 — CID 51248036

IUPAC4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(N2CCCCC2=O)cc1)c1nnc2ccccn12
InChIInChI=1S/C20H21N5O2/c1-14(19-23-22-17-6-2-4-13-25(17)19)21-20(27)15-8-10-16(11-9-15)24-12-5-3-7-18(24)26/h2,4,6,8-11,13-14H,3,5,7,12H2,1H3,(H,21,27)
InChIKeyBSIYWEIVNBDUFV-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.74
Rot. Bonds4

About 4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (PubChem CID 51248036) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
PubChem CID51248036
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(N2CCCCC2=O)cc1)c1nnc2ccccn12
InChIInChI=1S/C20H21N5O2/c1-14(19-23-22-17-6-2-4-13-25(17)19)21-20(27)15-8-10-16(11-9-15)24-12-5-3-7-18(24)26/h2,4,6,8-11,13-14H,3,5,7,12H2,1H3,(H,21,27)
InChIKeyBSIYWEIVNBDUFV-UHFFFAOYSA-N
XLogP2.74
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 134044850
2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24514111
4-(difluoromethylsulfanyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51326980
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 51248032
N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474179
2-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 103762817
3-nitro-4-pyrrolidin-1-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247607
2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 7693263
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 47017973
4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247773
6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide
CID 126791249

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (CID 51248036) is 4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is CC(NC(=O)c1ccc(N2CCCCC2=O)cc1)c1nnc2ccccn12.
What is the InChIKey of 4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The InChIKey is BSIYWEIVNBDUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14(19-23-22-17-6-2-4-13-25(17)19)21-20(27)15-8-10-16(11-9-15)24-12-5-3-7-18(24)26/h2,4,6,8-11,13-14H,3,5,7,12H2,1H3,(H,21,27).
What are the key properties of 4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 51248036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).