N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide

C21H23FN2O2 — CID 32508392

IUPACN-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide
SMILESCc1ccc(C)c(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H23FN2O2/c1-14-3-4-15(2)19(13-14)21(26)24-11-9-18(10-12-24)23-20(25)16-5-7-17(22)8-6-16/h3-8,13,18H,9-12H2,1-2H3,(H,23,25)
InChIKeyXEVVGOLIARPGHV-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.48
Rot. Bonds3

About N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide

N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide (PubChem CID 32508392) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide
PubChem CID32508392
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide
SMILESCc1ccc(C)c(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H23FN2O2/c1-14-3-4-15(2)19(13-14)21(26)24-11-9-18(10-12-24)23-20(25)16-5-7-17(22)8-6-16/h3-8,13,18H,9-12H2,1-2H3,(H,23,25)
InChIKeyXEVVGOLIARPGHV-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[1-(2-hydroxy-5-methylbenzoyl)piperidin-4-yl]benzamide
CID 32507439
N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide
CID 18268324
(2,5-dimethylphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109349
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
4-fluoro-N-[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
CID 46591840
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508951
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339
4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide
CID 32507574

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide (CID 32508392) is N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide is Cc1ccc(C)c(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is XEVVGOLIARPGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-14-3-4-15(2)19(13-14)21(26)24-11-9-18(10-12-24)23-20(25)16-5-7-17(22)8-6-16/h3-8,13,18H,9-12H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide?
N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 354.43 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 32508392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).