3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide

C23H23FN2O5 — CID 110236981

IUPAC3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide
SMILESCOc1ccc2c(c1)C(=O)CC(C1CCCN(C(=O)c3ccc(C(N)=O)cc3F)C1)O2
InChIInChI=1S/C23H23FN2O5/c1-30-15-5-7-20-17(10-15)19(27)11-21(31-20)14-3-2-8-26(12-14)23(29)16-6-4-13(22(25)28)9-18(16)24/h4-7,9-10,14,21H,2-3,8,11-12H2,1H3,(H2,25,28)
InChIKeyZRJLDRAWISIYGX-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.82
Rot. Bonds4

About 3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide

3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide (PubChem CID 110236981) has the molecular formula C23H23FN2O5 and a molecular weight of 426.44 g/mol. Its IUPAC name is 3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide
PubChem CID110236981
Molecular FormulaC23H23FN2O5
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC Name3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide
SMILESCOc1ccc2c(c1)C(=O)CC(C1CCCN(C(=O)c3ccc(C(N)=O)cc3F)C1)O2
InChIInChI=1S/C23H23FN2O5/c1-30-15-5-7-20-17(10-15)19(27)11-21(31-20)14-3-2-8-26(12-14)23(29)16-6-4-13(22(25)28)9-18(16)24/h4-7,9-10,14,21H,2-3,8,11-12H2,1H3,(H2,25,28)
InChIKeyZRJLDRAWISIYGX-UHFFFAOYSA-N
XLogP2.82
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 110236982
2-[1-(3,4,5-trimethoxybenzoyl)piperidin-3-yl]-2,3-dihydrochromen-4-one
CID 110236920
[3-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102884020
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
(2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 103804906
tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate
CID 121301333
3-fluoro-4-(morpholine-4-carbonyl)benzamide
CID 68509173
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524
7-methoxy-2-(oxan-3-yl)-2,3-dihydrochromen-4-one
CID 114672486
(4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103807097
(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 103709651
[2-(1-aminoethyl)morpholin-4-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103807823

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide?
The IUPAC name of 3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide (CID 110236981) is 3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide?
The canonical SMILES for 3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide is COc1ccc2c(c1)C(=O)CC(C1CCCN(C(=O)c3ccc(C(N)=O)cc3F)C1)O2.
What is the InChIKey of 3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide?
The InChIKey is ZRJLDRAWISIYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5/c1-30-15-5-7-20-17(10-15)19(27)11-21(31-20)14-3-2-8-26(12-14)23(29)16-6-4-13(22(25)28)9-18(16)24/h4-7,9-10,14,21H,2-3,8,11-12H2,1H3,(H2,25,28).
What are the key properties of 3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide?
3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide has a molecular weight of 426.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 110236981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).