N-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide

C23H24N2O3 — CID 121497118

IUPACN-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide
SMILESCCN1CCCC(NC(=O)c2cccc(-c3ccc4c(=O)ccoc4c3)c2)C1
InChIInChI=1S/C23H24N2O3/c1-2-25-11-4-7-19(15-25)24-23(27)18-6-3-5-16(13-18)17-8-9-20-21(26)10-12-28-22(20)14-17/h3,5-6,8-10,12-14,19H,2,4,7,11,15H2,1H3,(H,24,27)
InChIKeyJWXYACFQOOOQGL-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.67
Rot. Bonds4

About N-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide

N-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide (PubChem CID 121497118) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide
PubChem CID121497118
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide
SMILESCCN1CCCC(NC(=O)c2cccc(-c3ccc4c(=O)ccoc4c3)c2)C1
InChIInChI=1S/C23H24N2O3/c1-2-25-11-4-7-19(15-25)24-23(27)18-6-3-5-16(13-18)17-8-9-20-21(26)10-12-28-22(20)14-17/h3,5-6,8-10,12-14,19H,2,4,7,11,15H2,1H3,(H,24,27)
InChIKeyJWXYACFQOOOQGL-UHFFFAOYSA-N
XLogP3.67
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpiperidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765277
3-amino-4-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170156
N-(1-ethylpiperidin-3-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62175971
3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-(1-ethylpiperidin-3-yl)benzamide
CID 10151937
N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide
CID 95296179
N-(1-ethylpiperidin-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61169040
2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
CID 90978289
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide
CID 25448585
3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide
CID 61169768
N-(1-ethylpiperidin-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712140
2-amino-6-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 55244136

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide (CID 121497118) is N-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide is CCN1CCCC(NC(=O)c2cccc(-c3ccc4c(=O)ccoc4c3)c2)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide?
The InChIKey is JWXYACFQOOOQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-2-25-11-4-7-19(15-25)24-23(27)18-6-3-5-16(13-18)17-8-9-20-21(26)10-12-28-22(20)14-17/h3,5-6,8-10,12-14,19H,2,4,7,11,15H2,1H3,(H,24,27).
What are the key properties of N-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide?
N-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-3-(4-oxochromen-7-yl)benzamide is sourced from PubChem (CID 121497118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).