4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide

C23H24N2O3 — CID 13420536

IUPAC4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cccc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C23H24N2O3/c26-20-16-21(17-8-3-1-4-9-17)28-22-18(20)10-7-11-19(22)23(27)24-12-15-25-13-5-2-6-14-25/h1,3-4,7-11,16H,2,5-6,12-15H2,(H,24,27)
InChIKeyYRTIWOGQTYECIY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.68
Rot. Bonds5

About 4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide

4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide (PubChem CID 13420536) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide.

Molecular Properties

Compound Name4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide
PubChem CID13420536
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cccc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C23H24N2O3/c26-20-16-21(17-8-3-1-4-9-17)28-22-18(20)10-7-11-19(22)23(27)24-12-15-25-13-5-2-6-14-25/h1,3-4,7-11,16H,2,5-6,12-15H2,(H,24,27)
InChIKeyYRTIWOGQTYECIY-UHFFFAOYSA-N
XLogP3.68
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide
CID 19972536
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
N-[2-(azepan-1-yl)ethyl]-3-bromo-2-fluorobenzamide
CID 106547835
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972443
3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide
CID 10254630
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
CID 170276492
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
8-(hydroxymethyl)-2-phenylchromen-4-one
CID 141073629

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide?
The IUPAC name of 4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide (CID 13420536) is 4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide.
What is the SMILES notation for 4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide?
The canonical SMILES for 4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide is O=C(NCCN1CCCCC1)c1cccc2c(=O)cc(-c3ccccc3)oc12.
What is the InChIKey of 4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide?
The InChIKey is YRTIWOGQTYECIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-20-16-21(17-8-3-1-4-9-17)28-22-18(20)10-7-11-19(22)23(27)24-12-15-25-13-5-2-6-14-25/h1,3-4,7-11,16H,2,5-6,12-15H2,(H,24,27).
What are the key properties of 4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide?
4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide is sourced from PubChem (CID 13420536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).