1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide

C24H22N2O6 — CID 46926488

IUPAC1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)ccc12
InChIInChI=1S/C24H22N2O6/c1-14-10-22(27)32-20-12-17(3-4-18(14)20)25-23(28)15-6-8-26(9-7-15)24(29)16-2-5-19-21(11-16)31-13-30-19/h2-5,10-12,15H,6-9,13H2,1H3,(H,25,28)
InChIKeyMMHXRCAXVLMFQH-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.32
Rot. Bonds3

About 1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide

1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide (PubChem CID 46926488) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is 1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide
PubChem CID46926488
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Name1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)ccc12
InChIInChI=1S/C24H22N2O6/c1-14-10-22(27)32-20-12-17(3-4-18(14)20)25-23(28)15-6-8-26(9-7-15)24(29)16-2-5-19-21(11-16)31-13-30-19/h2-5,10-12,15H,6-9,13H2,1H3,(H,25,28)
InChIKeyMMHXRCAXVLMFQH-UHFFFAOYSA-N
XLogP3.32
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
N-(1,3-benzodioxol-5-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 41410894
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693314
4-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119179810
N-(1,3-benzodioxol-5-yl)-1-(2-chloroquinoline-6-carbonyl)piperidine-4-carboxamide
CID 55731130
1-(1,3-benzodioxole-5-carbonyl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90512866
N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767369
N-(1,3-benzodioxol-5-yl)-1-(3-nitro-4-pyrrolidin-1-ylbenzoyl)piperidine-4-carboxamide
CID 26456696
4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628963
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
N-(1,3-benzodioxol-5-yl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55788859
N-(1,3-benzodioxol-5-yl)-1-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperidine-4-carboxamide
CID 31715054

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide (CID 46926488) is 1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide is Cc1cc(=O)oc2cc(NC(=O)C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)ccc12.
What is the InChIKey of 1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide?
The InChIKey is MMHXRCAXVLMFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6/c1-14-10-22(27)32-20-12-17(3-4-18(14)20)25-23(28)15-6-8-26(9-7-15)24(29)16-2-5-19-21(11-16)31-13-30-19/h2-5,10-12,15H,6-9,13H2,1H3,(H,25,28).
What are the key properties of 1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide?
1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46926488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).