7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide

C27H26N2O4 — CID 11464897

IUPAC7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NC3CCN(Cc4ccc5ccccc5c4)CC3)oc2c1
InChIInChI=1S/C27H26N2O4/c1-32-22-8-9-23-24(30)16-26(33-25(23)15-22)27(31)28-21-10-12-29(13-11-21)17-18-6-7-19-4-2-3-5-20(19)14-18/h2-9,14-16,21H,10-13,17H2,1H3,(H,28,31)
InChIKeyKEBBJDODRWLIGG-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.35
Rot. Bonds5

About 7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide

7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide (PubChem CID 11464897) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide
PubChem CID11464897
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NC3CCN(Cc4ccc5ccccc5c4)CC3)oc2c1
InChIInChI=1S/C27H26N2O4/c1-32-22-8-9-23-24(30)16-26(33-25(23)15-22)27(31)28-21-10-12-29(13-11-21)17-18-6-7-19-4-2-3-5-20(19)14-18/h2-9,14-16,21H,10-13,17H2,1H3,(H,28,31)
InChIKeyKEBBJDODRWLIGG-UHFFFAOYSA-N
XLogP4.35
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11676170
7-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11973799
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide
CID 11633561
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 67943148
7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide
CID 11583193
7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11509431
7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide
CID 51998176
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-hydroxy-4-oxochromene-2-carboxamide
CID 11974129
3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954776
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of 7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide (CID 11464897) is 7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide is COc1ccc2c(=O)cc(C(=O)NC3CCN(Cc4ccc5ccccc5c4)CC3)oc2c1.
What is the InChIKey of 7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide?
The InChIKey is KEBBJDODRWLIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-32-22-8-9-23-24(30)16-26(33-25(23)15-22)27(31)28-21-10-12-29(13-11-21)17-18-6-7-19-4-2-3-5-20(19)14-18/h2-9,14-16,21H,10-13,17H2,1H3,(H,28,31).
What are the key properties of 7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide?
7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 11464897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).