N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide

C24H24N2O6 — CID 11328029

IUPACN-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NC3CCN(Cc4ccc5c(c4)OCO5)CC3)oc2c1
InChIInChI=1S/C24H24N2O6/c1-29-17-3-4-18-19(27)12-23(32-21(18)11-17)24(28)25-16-6-8-26(9-7-16)13-15-2-5-20-22(10-15)31-14-30-20/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,25,28)
InChIKeyBLVUILRZDGFJPZ-UHFFFAOYSA-N
MW436.46 g/mol
LogP2.92
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide

N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide (PubChem CID 11328029) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide
PubChem CID11328029
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC NameN-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NC3CCN(Cc4ccc5c(c4)OCO5)CC3)oc2c1
InChIInChI=1S/C24H24N2O6/c1-29-17-3-4-18-19(27)12-23(32-21(18)11-17)24(28)25-16-6-8-26(9-7-16)13-15-2-5-20-22(10-15)31-14-30-20/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,25,28)
InChIKeyBLVUILRZDGFJPZ-UHFFFAOYSA-N
XLogP2.92
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-{[methyl(7-{[(2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}heptyl)amino]methyl}phenyl methylcarbamate
CID 11365562
N-(1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl)-7-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11539096
3-{[methyl(3-{[(2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}propyl)amino]methyl}phenyl methylcarbamate
CID 11272989
N-(1-(6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-yl)piperidin-4-yl)-6-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 16721015
[3-[[methyl-[6-[[(2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]hexyl]amino]methyl]phenyl] N-methylcarbamate
CID 168299070
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethoxybenzamide
CID 2866568
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethoxybenzamide
CID 2971232
1-acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(2S,3S)-3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-2-hydroxy-4-phenylbutyl]piperidine-4-carboxamide
CID 10033021
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-chloro-3-methyl-4-oxo-4H-chromene-2-carboxamide
CID 11201867
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-chloro-4-oxo-4H-chromene-2-carboxamide
CID 11259253
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-(difluoromethoxy)-4-oxo-4H-chromene-2-carboxamide
CID 11374857
MCHr1 antagonist 2
CID 11464405

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide (CID 11328029) is N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide is COc1ccc2c(=O)cc(C(=O)NC3CCN(Cc4ccc5c(c4)OCO5)CC3)oc2c1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide?
The InChIKey is BLVUILRZDGFJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-29-17-3-4-18-19(27)12-23(32-21(18)11-17)24(28)25-16-6-8-26(9-7-16)13-15-2-5-20-22(10-15)31-14-30-20/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,25,28).
What are the key properties of N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide?
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 11328029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).