N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide

C21H23FN2O4 — CID 108557453

IUPACN-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H23FN2O4/c1-27-17-7-4-8-18(28-2)19(17)21(26)24-11-9-16(10-12-24)23-20(25)14-5-3-6-15(22)13-14/h3-8,13,16H,9-12H2,1-2H3,(H,23,25)
InChIKeyAGYLKUQMOVEKND-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.88
Rot. Bonds5

About N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide

N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide (PubChem CID 108557453) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
PubChem CID108557453
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC NameN-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H23FN2O4/c1-27-17-7-4-8-18(28-2)19(17)21(26)24-11-9-16(10-12-24)23-20(25)14-5-3-6-15(22)13-14/h3-8,13,16H,9-12H2,1-2H3,(H,23,25)
InChIKeyAGYLKUQMOVEKND-UHFFFAOYSA-N
XLogP2.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
[3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548503
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556755
[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 108544554
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557444
2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108563833
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108563814
N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550402
3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108558250

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide (CID 108557453) is N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide is COc1cccc(OC)c1C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide?
The InChIKey is AGYLKUQMOVEKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-27-17-7-4-8-18(28-2)19(17)21(26)24-11-9-16(10-12-24)23-20(25)14-5-3-6-15(22)13-14/h3-8,13,16H,9-12H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide?
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide has a molecular weight of 386.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide is sourced from PubChem (CID 108557453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).