N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide

C17H23FN2O2 — CID 96567414

IUPACN-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@@H]1CCCN(c2cccc(F)c2C(C)=O)C1
InChIInChI=1S/C17H23FN2O2/c1-3-6-16(22)19-13-7-5-10-20(11-13)15-9-4-8-14(18)17(15)12(2)21/h4,8-9,13H,3,5-7,10-11H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyFMINACLAHHJVPV-CYBMUJFWSA-N
MW306.38 g/mol
LogP2.91
Rot. Bonds5

About N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide

N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide (PubChem CID 96567414) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide
PubChem CID96567414
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@@H]1CCCN(c2cccc(F)c2C(C)=O)C1
InChIInChI=1S/C17H23FN2O2/c1-3-6-16(22)19-13-7-5-10-20(11-13)15-9-4-8-14(18)17(15)12(2)21/h4,8-9,13H,3,5-7,10-11H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyFMINACLAHHJVPV-CYBMUJFWSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone
CID 62076817
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-fluorophenyl]ethanone
CID 63151021
2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide
CID 136518581
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
(3S)-1-(2-acetyl-3-fluorophenyl)-N-ethylpyrrolidine-3-sulfonamide
CID 97158073
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone
CID 133275817
1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone
CID 97340593
1-[2-fluoro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanone
CID 62974493
4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide
CID 119882578
N-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)butanamide
CID 133354808
1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone
CID 115658685

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide?
The IUPAC name of N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide (CID 96567414) is N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide.
What is the SMILES notation for N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide?
The canonical SMILES for N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide is CCCC(=O)N[C@@H]1CCCN(c2cccc(F)c2C(C)=O)C1.
What is the InChIKey of N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide?
The InChIKey is FMINACLAHHJVPV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-3-6-16(22)19-13-7-5-10-20(11-13)15-9-4-8-14(18)17(15)12(2)21/h4,8-9,13H,3,5-7,10-11H2,1-2H3,(H,19,22)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide?
N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide has a molecular weight of 306.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 96567414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).