7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide

C25H21FN2O5 — CID 11583193

IUPAC7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc3ccc(=O)oc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIInChI=1S/C25H21FN2O5/c26-17-4-5-19-20(29)13-23(32-22(19)12-17)25(31)27-18-7-9-28(10-8-18)14-15-1-2-16-3-6-24(30)33-21(16)11-15/h1-6,11-13,18H,7-10,14H2,(H,27,31)
InChIKeyOKJKIOJUDZFVDL-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.43
Rot. Bonds4

About 7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide

7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide (PubChem CID 11583193) has the molecular formula C25H21FN2O5 and a molecular weight of 448.45 g/mol. Its IUPAC name is 7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide
PubChem CID11583193
Molecular FormulaC25H21FN2O5
Molecular Weight448.45 g/mol
Exact Mass448.14
IUPAC Name7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc3ccc(=O)oc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIInChI=1S/C25H21FN2O5/c26-17-4-5-19-20(29)13-23(32-22(19)12-17)25(31)27-18-7-9-28(10-8-18)14-15-1-2-16-3-6-24(30)33-21(16)11-15/h1-6,11-13,18H,7-10,14H2,(H,27,31)
InChIKeyOKJKIOJUDZFVDL-UHFFFAOYSA-N
XLogP3.43
TPSA92.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.43
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

7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11509431
7-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11973799
7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11464897
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide
CID 11464405
7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11676170
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide
CID 11633561
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-hydroxy-4-oxochromene-2-carboxamide
CID 11974129
N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide
CID 11648203
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide
CID 11583049
N-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide
CID 86227185
tert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate
CID 11974459
7-[(4-phenylpiperidin-1-yl)methyl]chromen-2-one
CID 10639353

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide?
The IUPAC name of 7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide (CID 11583193) is 7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide.
What is the SMILES notation for 7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide?
The canonical SMILES for 7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide is O=C(NC1CCN(Cc2ccc3ccc(=O)oc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1.
What is the InChIKey of 7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide?
The InChIKey is OKJKIOJUDZFVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O5/c26-17-4-5-19-20(29)13-23(32-22(19)12-17)25(31)27-18-7-9-28(10-8-18)14-15-1-2-16-3-6-24(30)33-21(16)11-15/h1-6,11-13,18H,7-10,14H2,(H,27,31).
What are the key properties of 7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide?
7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide is sourced from PubChem (CID 11583193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).