N-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide

C25H23FN2O5 — CID 16721015

IUPACN-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide
SMILESO=C(NC1CCN(C2CCc3cc4c(cc32)OCO4)CC1)c1cc(=O)c2cc(F)ccc2o1
InChIInChI=1S/C25H23FN2O5/c26-15-2-4-21-18(10-15)20(29)12-24(33-21)25(30)27-16-5-7-28(8-6-16)19-3-1-14-9-22-23(11-17(14)19)32-13-31-22/h2,4,9-12,16,19H,1,3,5-8,13H2,(H,27,30)
InChIKeyBMVVLXNEZZJMOQ-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.54
Rot. Bonds3

About N-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide

N-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide (PubChem CID 16721015) has the molecular formula C25H23FN2O5 and a molecular weight of 450.47 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide
PubChem CID16721015
Molecular FormulaC25H23FN2O5
Molecular Weight450.47 g/mol
Exact Mass450.16
IUPAC NameN-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide
SMILESO=C(NC1CCN(C2CCc3cc4c(cc32)OCO4)CC1)c1cc(=O)c2cc(F)ccc2o1
InChIInChI=1S/C25H23FN2O5/c26-15-2-4-21-18(10-15)20(29)12-24(33-21)25(30)27-16-5-7-28(8-6-16)19-3-1-14-9-22-23(11-17(14)19)32-13-31-22/h2,4,9-12,16,19H,1,3,5-8,13H2,(H,27,30)
InChIKeyBMVVLXNEZZJMOQ-UHFFFAOYSA-N
XLogP3.54
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl)-7-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11539096
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
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
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
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-chloro-6-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11775505

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide (CID 16721015) is N-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide is O=C(NC1CCN(C2CCc3cc4c(cc32)OCO4)CC1)c1cc(=O)c2cc(F)ccc2o1.
What is the InChIKey of N-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide?
The InChIKey is BMVVLXNEZZJMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O5/c26-15-2-4-21-18(10-15)20(29)12-24(33-21)25(30)27-16-5-7-28(8-6-16)19-3-1-14-9-22-23(11-17(14)19)32-13-31-22/h2,4,9-12,16,19H,1,3,5-8,13H2,(H,27,30).
What are the key properties of N-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide?
N-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide is sourced from PubChem (CID 16721015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).