N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide

C15H20N6O — CID 95296179

IUPACN-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide
SMILESCCN1CCC[C@@H](NC(=O)c2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C15H20N6O/c1-2-20-8-4-6-13(10-20)17-15(22)12-5-3-7-14(9-12)21-11-16-18-19-21/h3,5,7,9,11,13H,2,4,6,8,10H2,1H3,(H,17,22)/t13-/m1/s1
InChIKeyXIBDXAPXLQHMJH-CYBMUJFWSA-N
MW300.37 g/mol
LogP0.88
Rot. Bonds4

About N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide

N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide (PubChem CID 95296179) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide
PubChem CID95296179
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide
SMILESCCN1CCC[C@@H](NC(=O)c2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C15H20N6O/c1-2-20-8-4-6-13(10-20)17-15(22)12-5-3-7-14(9-12)21-11-16-18-19-21/h3,5,7,9,11,13H,2,4,6,8,10H2,1H3,(H,17,22)/t13-/m1/s1
InChIKeyXIBDXAPXLQHMJH-CYBMUJFWSA-N
XLogP0.88
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459
N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120601332
3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide
CID 121022052
N-(1-ethylpiperidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765277
2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
CID 90978289
N-(1-ethylpiperidin-3-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62175971
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide
CID 55930735
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
3-amino-4-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170156
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide
CID 136962362

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide (CID 95296179) is N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide is CCN1CCC[C@@H](NC(=O)c2cccc(-n3cnnn3)c2)C1.
What is the InChIKey of N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is XIBDXAPXLQHMJH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N6O/c1-2-20-8-4-6-13(10-20)17-15(22)12-5-3-7-14(9-12)21-11-16-18-19-21/h3,5,7,9,11,13H,2,4,6,8,10H2,1H3,(H,17,22)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide?
N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 300.37 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 95296179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).