7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide

C23H23FN2O3 — CID 11509431

IUPAC7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1
InChIInChI=1S/C23H23FN2O3/c1-15-2-4-16(5-3-15)14-26-10-8-18(9-11-26)25-23(28)22-13-20(27)19-7-6-17(24)12-21(19)29-22/h2-7,12-13,18H,8-11,14H2,1H3,(H,25,28)
InChIKeyUFRWKZOOQVGJEG-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.63
Rot. Bonds4

About 7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide

7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide (PubChem CID 11509431) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
PubChem CID11509431
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1
InChIInChI=1S/C23H23FN2O3/c1-15-2-4-16(5-3-15)14-26-10-8-18(9-11-26)25-23(28)22-13-20(27)19-7-6-17(24)12-21(19)29-22/h2-7,12-13,18H,8-11,14H2,1H3,(H,25,28)
InChIKeyUFRWKZOOQVGJEG-UHFFFAOYSA-N
XLogP3.63
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11973799
7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide
CID 11583193
7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11676170
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide
CID 11464405
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide
CID 11633561
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]-7-hydroxy-4-oxochromene-2-carboxamide
CID 11974129
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 39966113
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide
CID 11583049
N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide
CID 11648203
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55428292
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of 7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide (CID 11509431) is 7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide is Cc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1.
What is the InChIKey of 7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
The InChIKey is UFRWKZOOQVGJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-15-2-4-16(5-3-15)14-26-10-8-18(9-11-26)25-23(28)22-13-20(27)19-7-6-17(24)12-21(19)29-22/h2-7,12-13,18H,8-11,14H2,1H3,(H,25,28).
What are the key properties of 7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 11509431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).