4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one

C14H17FN2O2 — CID 112534635

IUPAC4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one
SMILESNC1CCN(C(=O)CCc2ccccc2F)C(=O)C1
InChIInChI=1S/C14H17FN2O2/c15-12-4-2-1-3-10(12)5-6-13(18)17-8-7-11(16)9-14(17)19/h1-4,11H,5-9,16H2
InChIKeyWLWOKCZBEGVJQV-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.23
Rot. Bonds3

About 4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one

4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one (PubChem CID 112534635) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one
PubChem CID112534635
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one
SMILESNC1CCN(C(=O)CCc2ccccc2F)C(=O)C1
InChIInChI=1S/C14H17FN2O2/c15-12-4-2-1-3-10(12)5-6-13(18)17-8-7-11(16)9-14(17)19/h1-4,11H,5-9,16H2
InChIKeyWLWOKCZBEGVJQV-UHFFFAOYSA-N
XLogP1.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one
CID 110612527
3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 110721311
4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one
CID 110708111
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
CID 63351757
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493
1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one
CID 119375776
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 46421185
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
(6R)-1-acetyl-4-[3-(2-fluorophenyl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124982435

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one?
The IUPAC name of 4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one (CID 112534635) is 4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one.
What is the SMILES notation for 4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one?
The canonical SMILES for 4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one is NC1CCN(C(=O)CCc2ccccc2F)C(=O)C1.
What is the InChIKey of 4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one?
The InChIKey is WLWOKCZBEGVJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-12-4-2-1-3-10(12)5-6-13(18)17-8-7-11(16)9-14(17)19/h1-4,11H,5-9,16H2.
What are the key properties of 4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one?
4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one has a molecular weight of 264.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one is sourced from PubChem (CID 112534635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).