N-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C17H22N4O2 — CID 164636138

IUPACN-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCN1CCC[C@H](NC(=O)c2ccccc2-c2nnc(C)o2)C1
InChIInChI=1S/C17H22N4O2/c1-3-21-10-6-7-13(11-21)18-16(22)14-8-4-5-9-15(14)17-20-19-12(2)23-17/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyGOFWYGUVZQXIIS-ZDUSSCGKSA-N
MW314.39 g/mol
LogP2.26
Rot. Bonds4

About N-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

N-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 164636138) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID164636138
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCN1CCC[C@H](NC(=O)c2ccccc2-c2nnc(C)o2)C1
InChIInChI=1S/C17H22N4O2/c1-3-21-10-6-7-13(11-21)18-16(22)14-8-4-5-9-15(14)17-20-19-12(2)23-17/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyGOFWYGUVZQXIIS-ZDUSSCGKSA-N
XLogP2.26
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 166222786
N-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 136567390
N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 124752653
N-(1-ethylpiperidin-3-yl)-2-hydroxy-3-methoxybenzamide
CID 61151099
2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide
CID 126775139
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801
4-amino-N-(1-ethylpiperidin-3-yl)-6-methylpyridine-3-carboxamide
CID 81242550
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 97249203
6-(ethylamino)-N-(1-ethylpiperidin-3-yl)pyridazine-3-carboxamide
CID 62173485
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039106

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 164636138) is N-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is CCN1CCC[C@H](NC(=O)c2ccccc2-c2nnc(C)o2)C1.
What is the InChIKey of N-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is GOFWYGUVZQXIIS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-21-10-6-7-13(11-21)18-16(22)14-8-4-5-9-15(14)17-20-19-12(2)23-17/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,18,22)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
N-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 314.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-ethylpiperidin-3-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 164636138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).