7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide

C24H26N2O5 — CID 11676170

IUPAC7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(OC)cc4o3)CC2)cc1
InChIInChI=1S/C24H26N2O5/c1-29-18-5-3-16(4-6-18)15-26-11-9-17(10-12-26)25-24(28)23-14-21(27)20-8-7-19(30-2)13-22(20)31-23/h3-8,13-14,17H,9-12,15H2,1-2H3,(H,25,28)
InChIKeyLSUYZCMTAJZCLW-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.20
Rot. Bonds6

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

7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide (PubChem CID 11676170) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
PubChem CID11676170
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(OC)cc4o3)CC2)cc1
InChIInChI=1S/C24H26N2O5/c1-29-18-5-3-16(4-6-18)15-26-11-9-17(10-12-26)25-24(28)23-14-21(27)20-8-7-19(30-2)13-22(20)31-23/h3-8,13-14,17H,9-12,15H2,1-2H3,(H,25,28)
InChIKeyLSUYZCMTAJZCLW-UHFFFAOYSA-N
XLogP3.20
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11464897
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
7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11509431
7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide
CID 11583193
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 67943148
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-hydroxy-4-oxochromene-2-carboxamide
CID 11974129
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-8-chloro-7-methoxy-4-oxochromene-2-carboxamide
CID 11598014
7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
CID 51998193
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of 7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide (CID 11676170) is 7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide is COc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(OC)cc4o3)CC2)cc1.
What is the InChIKey of 7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
The InChIKey is LSUYZCMTAJZCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-29-18-5-3-16(4-6-18)15-26-11-9-17(10-12-26)25-24(28)23-14-21(27)20-8-7-19(30-2)13-22(20)31-23/h3-8,13-14,17H,9-12,15H2,1-2H3,(H,25,28).
What are the key properties of 7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 11676170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).