2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide

C29H26F2N4O4 — CID 171698533

IUPAC2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C3CCN(C(=O)c4cnc5ccccc5n4)CC3)cc2)c(F)c(OC)c1F
InChIInChI=1S/C29H26F2N4O4/c1-38-24-15-20(25(30)27(39-2)26(24)31)28(36)33-19-9-7-17(8-10-19)18-11-13-35(14-12-18)29(37)23-16-32-21-5-3-4-6-22(21)34-23/h3-10,15-16,18H,11-14H2,1-2H3,(H,33,36)
InChIKeyBXZDRGOHYCOZMS-UHFFFAOYSA-N
MW532.55 g/mol
LogP5.20
Rot. Bonds6

About 2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide

2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide (PubChem CID 171698533) has the molecular formula C29H26F2N4O4 and a molecular weight of 532.55 g/mol. Its IUPAC name is 2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide
PubChem CID171698533
Molecular FormulaC29H26F2N4O4
Molecular Weight532.55 g/mol
Exact Mass532.19
IUPAC Name2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C3CCN(C(=O)c4cnc5ccccc5n4)CC3)cc2)c(F)c(OC)c1F
InChIInChI=1S/C29H26F2N4O4/c1-38-24-15-20(25(30)27(39-2)26(24)31)28(36)33-19-9-7-17(8-10-19)18-11-13-35(14-12-18)29(37)23-16-32-21-5-3-4-6-22(21)34-23/h3-10,15-16,18H,11-14H2,1-2H3,(H,33,36)
InChIKeyBXZDRGOHYCOZMS-UHFFFAOYSA-N
XLogP5.20
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.55
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 99814672
N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 171681380
4-chloro-N-[4-[1-(3,5-dimethoxy-4-methylbenzoyl)piperidin-4-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 171685466
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide
CID 171683788
N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 5174799
N-[4-[1-(3,5-dimethoxy-4-methylbenzoyl)piperidin-4-yl]phenyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 171684341
N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]-3-fluoro-2-nitrobenzamide
CID 171684890
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
CID 33365935
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 126887928
N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 171685415

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide?
The IUPAC name of 2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide (CID 171698533) is 2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide is COc1cc(C(=O)Nc2ccc(C3CCN(C(=O)c4cnc5ccccc5n4)CC3)cc2)c(F)c(OC)c1F.
What is the InChIKey of 2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide?
The InChIKey is BXZDRGOHYCOZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N4O4/c1-38-24-15-20(25(30)27(39-2)26(24)31)28(36)33-19-9-7-17(8-10-19)18-11-13-35(14-12-18)29(37)23-16-32-21-5-3-4-6-22(21)34-23/h3-10,15-16,18H,11-14H2,1-2H3,(H,33,36).
What are the key properties of 2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide?
2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide has a molecular weight of 532.55 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide is sourced from PubChem (CID 171698533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).