N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide

C24H25FN2O5 — CID 11633561

IUPACN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NC3CCN(Cc4ccc(OC)c(F)c4)CC3)oc2c1
InChIInChI=1S/C24H25FN2O5/c1-30-17-4-5-18-20(28)13-23(32-22(18)12-17)24(29)26-16-7-9-27(10-8-16)14-15-3-6-21(31-2)19(25)11-15/h3-6,11-13,16H,7-10,14H2,1-2H3,(H,26,29)
InChIKeyPTLONRCGQUCCEE-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.34
Rot. Bonds6

About N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide (PubChem CID 11633561) has the molecular formula C24H25FN2O5 and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide
PubChem CID11633561
Molecular FormulaC24H25FN2O5
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NC3CCN(Cc4ccc(OC)c(F)c4)CC3)oc2c1
InChIInChI=1S/C24H25FN2O5/c1-30-17-4-5-18-20(28)13-23(32-22(18)12-17)24(29)26-16-7-9-27(10-8-16)14-15-3-6-21(31-2)19(25)11-15/h3-6,11-13,16H,7-10,14H2,1-2H3,(H,26,29)
InChIKeyPTLONRCGQUCCEE-UHFFFAOYSA-N
XLogP3.34
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11676170
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-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
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-8-chloro-7-methoxy-4-oxochromene-2-carboxamide
CID 11598014
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide
CID 11583049
(2S)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55958130

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide?
The IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide (CID 11633561) is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide is COc1ccc2c(=O)cc(C(=O)NC3CCN(Cc4ccc(OC)c(F)c4)CC3)oc2c1.
What is the InChIKey of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide?
The InChIKey is PTLONRCGQUCCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5/c1-30-17-4-5-18-20(28)13-23(32-22(18)12-17)24(29)26-16-7-9-27(10-8-16)14-15-3-6-21(31-2)19(25)11-15/h3-6,11-13,16H,7-10,14H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide?
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide has a molecular weight of 440.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 11633561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).