3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride

C24H27ClN2O3 — CID 119557566

IUPAC3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCCC3CCCNC3)cccc2c1=O.Cl
InChIInChI=1S/C24H26N2O3.ClH/c1-16-21(27)19-10-5-11-20(23(19)29-22(16)18-8-3-2-4-9-18)24(28)26-14-12-17-7-6-13-25-15-17;/h2-5,8-11,17,25H,6-7,12-15H2,1H3,(H,26,28);1H
InChIKeyQQAHBIVUGDLUBA-UHFFFAOYSA-N
MW426.94 g/mol
LogP4.31
Rot. Bonds5

About 3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride

3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride (PubChem CID 119557566) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is 3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride
PubChem CID119557566
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC Name3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCCC3CCCNC3)cccc2c1=O.Cl
InChIInChI=1S/C24H26N2O3.ClH/c1-16-21(27)19-10-5-11-20(23(19)29-22(16)18-8-3-2-4-9-18)24(28)26-14-12-17-7-6-13-25-15-17;/h2-5,8-11,17,25H,6-7,12-15H2,1H3,(H,26,28);1H
InChIKeyQQAHBIVUGDLUBA-UHFFFAOYSA-N
XLogP4.31
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 166187970
7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119556193
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 41009907
N-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 166291812
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 166196179
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
CID 119557753
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119554950

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride (CID 119557566) is 3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride is Cc1c(-c2ccccc2)oc2c(C(=O)NCCC3CCCNC3)cccc2c1=O.Cl.
What is the InChIKey of 3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride?
The InChIKey is QQAHBIVUGDLUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3.ClH/c1-16-21(27)19-10-5-11-20(23(19)29-22(16)18-8-3-2-4-9-18)24(28)26-14-12-17-7-6-13-25-15-17;/h2-5,8-11,17,25H,6-7,12-15H2,1H3,(H,26,28);1H.
What are the key properties of 3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride?
3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride has a molecular weight of 426.94 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride is sourced from PubChem (CID 119557566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).