2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide

C17H24FN3O2 — CID 119386986

IUPAC2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1F)C(=O)NC1CCNCC1
InChIInChI=1S/C17H24FN3O2/c1-11(2)15(17(23)20-12-7-9-19-10-8-12)21-16(22)13-5-3-4-6-14(13)18/h3-6,11-12,15,19H,7-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyZYCCNRSVWOKLMA-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.45
Rot. Bonds5

About 2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide

2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide (PubChem CID 119386986) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide
PubChem CID119386986
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1F)C(=O)NC1CCNCC1
InChIInChI=1S/C17H24FN3O2/c1-11(2)15(17(23)20-12-7-9-19-10-8-12)21-16(22)13-5-3-4-6-14(13)18/h3-6,11-12,15,19H,7-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyZYCCNRSVWOKLMA-UHFFFAOYSA-N
XLogP1.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-aminocyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide;hydrochloride
CID 119475606
2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride
CID 119450919
2-fluoro-N-(1-piperidin-4-ylethyl)benzamide
CID 43523234
2-fluoro-N-[3-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)butan-2-yl]benzamide
CID 119445980
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 16591547
4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55702964
N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride
CID 119390043
2-fluoro-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-2-yl]benzamide
CID 120995659
2-chloro-N-[(2R)-3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]benzamide
CID 51865236
N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 119040284
N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 3385077
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide
CID 119387270

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide (CID 119386986) is 2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1F)C(=O)NC1CCNCC1.
What is the InChIKey of 2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide?
The InChIKey is ZYCCNRSVWOKLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-11(2)15(17(23)20-12-7-9-19-10-8-12)21-16(22)13-5-3-4-6-14(13)18/h3-6,11-12,15,19H,7-10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide?
2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide has a molecular weight of 321.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide is sourced from PubChem (CID 119386986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).