3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide

C18H26FN3O2 — CID 119441468

IUPAC3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)N(C)C2CCNCC2)cc1F
InChIInChI=1S/C18H26FN3O2/c1-12(2)10-17(23)21-16-5-4-13(11-15(16)19)18(24)22(3)14-6-8-20-9-7-14/h4-5,11-12,14,20H,6-10H2,1-3H3,(H,21,23)
InChIKeyLYAYQSFBZBOOSV-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.63
Rot. Bonds5

About 3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide

3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide (PubChem CID 119441468) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
PubChem CID119441468
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)N(C)C2CCNCC2)cc1F
InChIInChI=1S/C18H26FN3O2/c1-12(2)10-17(23)21-16-5-4-13(11-15(16)19)18(24)22(3)14-6-8-20-9-7-14/h4-5,11-12,14,20H,6-10H2,1-3H3,(H,21,23)
InChIKeyLYAYQSFBZBOOSV-UHFFFAOYSA-N
XLogP2.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbenzamide
CID 119449903
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
N-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-fluorophenyl]-3-methylbutanamide;hydrochloride
CID 120655767
3-fluoro-4-(3-methylbutanoylamino)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445207
N-(2-aminoethyl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 119382331
N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607565
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
CID 119444616
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride
CID 119442759
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673449
N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119743419

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide (CID 119441468) is 3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide is CC(C)CC(=O)Nc1ccc(C(=O)N(C)C2CCNCC2)cc1F.
What is the InChIKey of 3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide?
The InChIKey is LYAYQSFBZBOOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-12(2)10-17(23)21-16-5-4-13(11-15(16)19)18(24)22(3)14-6-8-20-9-7-14/h4-5,11-12,14,20H,6-10H2,1-3H3,(H,21,23).
What are the key properties of 3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide?
3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide has a molecular weight of 335.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119441468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).