2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide

C23H24F4N2O3 — CID 88655694

IUPAC2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide
SMILESCOc1c(F)c(F)c(C)c(F)c1C(=O)NCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24F4N2O3/c1-13-18(25)17(22(32-2)20(27)19(13)26)23(31)28-9-12-29-10-7-15(8-11-29)21(30)14-3-5-16(24)6-4-14/h3-6,15H,7-12H2,1-2H3,(H,28,31)
InChIKeyYDVQJENBHJXAKZ-UHFFFAOYSA-N
MW452.45 g/mol
LogP3.88
Rot. Bonds7

About 2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide

2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide (PubChem CID 88655694) has the molecular formula C23H24F4N2O3 and a molecular weight of 452.45 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide
PubChem CID88655694
Molecular FormulaC23H24F4N2O3
Molecular Weight452.45 g/mol
Exact Mass452.17
IUPAC Name2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide
SMILESCOc1c(F)c(F)c(C)c(F)c1C(=O)NCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24F4N2O3/c1-13-18(25)17(22(32-2)20(27)19(13)26)23(31)28-9-12-29-10-7-15(8-11-29)21(30)14-3-5-16(24)6-4-14/h3-6,15H,7-12H2,1-2H3,(H,28,31)
InChIKeyYDVQJENBHJXAKZ-UHFFFAOYSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methoxy-5-methylsulfanylbenzamide;hydrochloride
CID 70425777
(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone
CID 19690037
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide
CID 11742358
1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine
CID 139798430
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
CID 22322400
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane
CID 158052051
4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
CID 139726411
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423
1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-[(2-methoxyphenyl)methyl]benzimidazol-2-one
CID 18780670

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide?
The IUPAC name of 2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide (CID 88655694) is 2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide.
What is the SMILES notation for 2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide?
The canonical SMILES for 2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide is COc1c(F)c(F)c(C)c(F)c1C(=O)NCCN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide?
The InChIKey is YDVQJENBHJXAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O3/c1-13-18(25)17(22(32-2)20(27)19(13)26)23(31)28-9-12-29-10-7-15(8-11-29)21(30)14-3-5-16(24)6-4-14/h3-6,15H,7-12H2,1-2H3,(H,28,31).
What are the key properties of 2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide?
2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide has a molecular weight of 452.45 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide is sourced from PubChem (CID 88655694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).