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

C24H22F2N2O6 — CID 11374857

IUPACN-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-(difluoromethoxy)-4-oxochromene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2ccc(OC(F)F)cc2o1
InChIInChI=1S/C24H22F2N2O6/c25-24(26)33-16-2-3-17-18(29)11-22(34-20(17)10-16)23(30)27-15-5-7-28(8-6-15)12-14-1-4-19-21(9-14)32-13-31-19/h1-4,9-11,15,24H,5-8,12-13H2,(H,27,30)
InChIKeySWOGBCMCJSXRTN-UHFFFAOYSA-N
MW472.44 g/mol
LogP3.52
Rot. Bonds6

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

N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-(difluoromethoxy)-4-oxochromene-2-carboxamide (PubChem CID 11374857) has the molecular formula C24H22F2N2O6 and a molecular weight of 472.44 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-(difluoromethoxy)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-(difluoromethoxy)-4-oxochromene-2-carboxamide
PubChem CID11374857
Molecular FormulaC24H22F2N2O6
Molecular Weight472.44 g/mol
Exact Mass472.14
IUPAC NameN-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-(difluoromethoxy)-4-oxochromene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2ccc(OC(F)F)cc2o1
InChIInChI=1S/C24H22F2N2O6/c25-24(26)33-16-2-3-17-18(29)11-22(34-20(17)10-16)23(30)27-15-5-7-28(8-6-15)12-14-1-4-19-21(9-14)32-13-31-19/h1-4,9-11,15,24H,5-8,12-13H2,(H,27,30)
InChIKeySWOGBCMCJSXRTN-UHFFFAOYSA-N
XLogP3.52
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-(difluoromethoxy)-4-oxochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl)-7-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11539096
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
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethoxybenzamide
CID 2866568
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-methoxy-4-oxo-4H-chromene-2-carboxamide
CID 11328029
MCHr1 antagonist 2
CID 11464405
N-{1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl}-7-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11510887
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6-chloro-4-oxo-4H-chromene-2-carboxamide
CID 11546687
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-bromo-4-oxo-4H-chromene-2-carboxamide
CID 11569300
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxo-4H-chromene-2-carboxamide
CID 11583049
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6-fluoro-7-methoxy-4-oxo-4H-chromene-2-carboxamide
CID 11683903

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-(difluoromethoxy)-4-oxochromene-2-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-(difluoromethoxy)-4-oxochromene-2-carboxamide (CID 11374857) is N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-(difluoromethoxy)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-(difluoromethoxy)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-(difluoromethoxy)-4-oxochromene-2-carboxamide is O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2ccc(OC(F)F)cc2o1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-(difluoromethoxy)-4-oxochromene-2-carboxamide?
The InChIKey is SWOGBCMCJSXRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O6/c25-24(26)33-16-2-3-17-18(29)11-22(34-20(17)10-16)23(30)27-15-5-7-28(8-6-15)12-14-1-4-19-21(9-14)32-13-31-19/h1-4,9-11,15,24H,5-8,12-13H2,(H,27,30).
What are the key properties of N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-(difluoromethoxy)-4-oxochromene-2-carboxamide?
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-(difluoromethoxy)-4-oxochromene-2-carboxamide has a molecular weight of 472.44 g/mol, XLogP of 3.52, 6 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-(difluoromethoxy)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 11374857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).