4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide

C17H23FN2O2 — CID 46592883

IUPAC4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
SMILESCCC(C)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O2/c1-3-12(2)17(22)20-10-8-15(9-11-20)19-16(21)13-4-6-14(18)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyJKNJZGNCASULKJ-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.59
Rot. Bonds4

About 4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide

4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide (PubChem CID 46592883) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
PubChem CID46592883
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
SMILESCCC(C)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O2/c1-3-12(2)17(22)20-10-8-15(9-11-20)19-16(21)13-4-6-14(18)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyJKNJZGNCASULKJ-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride
CID 119709967
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 168882317
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549415
4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 119289463
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542222
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide (CID 46592883) is 4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide is CCC(C)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide?
The InChIKey is JKNJZGNCASULKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-3-12(2)17(22)20-10-8-15(9-11-20)19-16(21)13-4-6-14(18)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3,(H,19,21).
What are the key properties of 4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide?
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide has a molecular weight of 306.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 46592883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).