(3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one

C15H16FNO2 — CID 53495123

IUPAC(3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one
SMILESC=CC[C@]1(F)CCCN(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C15H16FNO2/c1-2-9-15(16)10-6-11-17(14(15)19)13(18)12-7-4-3-5-8-12/h2-5,7-8H,1,6,9-11H2/t15-/m0/s1
InChIKeyJCORFSANMWNTRG-HNNXBMFYSA-N
MW261.30 g/mol
LogP2.73
Rot. Bonds3

About (3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one

(3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one (PubChem CID 53495123) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is (3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one
PubChem CID53495123
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name(3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one
SMILESC=CC[C@]1(F)CCCN(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C15H16FNO2/c1-2-9-15(16)10-6-11-17(14(15)19)13(18)12-7-4-3-5-8-12/h2-5,7-8H,1,6,9-11H2/t15-/m0/s1
InChIKeyJCORFSANMWNTRG-HNNXBMFYSA-N
XLogP2.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-benzoyl-3-methyl-3-prop-2-enylpiperidin-2-one
CID 53495094
(3S)-1-benzoyl-2-oxo-3-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid
CID 138595276
(3S)-1-(4-methoxybenzoyl)-3-methyl-3-prop-2-enylpiperidin-2-one
CID 53495098
4-benzoyl-3-oxo-2-(phenylmethoxymethyl)-2-prop-2-enylpiperazine-1-carboxylic acid
CID 154944558
(3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone
CID 101497128
(5R)-3-benzoyl-5-ethyl-4-oxo-5-prop-2-enyl-1,3-diazinane-1-carboxylic acid
CID 154944559
1-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-phenylethane-1,2-dione
CID 56714153
ethyl 1-benzoyl-2-oxo-3-(3-phenylprop-2-enyl)piperidine-3-carboxylate
CID 175190047
4-(4-methoxybenzoyl)-2-methyl-3-oxo-2-prop-2-enylpiperazine-1-carboxylic acid
CID 154944625
methyl 4-[(3S)-1-benzoyl-3-prop-2-enylpiperidin-3-yl]butanoate
CID 146608044
tert-butyl (5R)-3-benzoyl-5-ethyl-4-oxo-5-prop-2-enyl-1,3-diazinane-1-carboxylate
CID 175731164
tert-butyl N-[[(2R)-4-benzoyl-3-oxo-2-prop-2-enylpiperazin-2-yl]methyl]carbamate
CID 175731169

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one?
The IUPAC name of (3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one (CID 53495123) is (3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one?
The canonical SMILES for (3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one is C=CC[C@]1(F)CCCN(C(=O)c2ccccc2)C1=O.
What is the InChIKey of (3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one?
The InChIKey is JCORFSANMWNTRG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-2-9-15(16)10-6-11-17(14(15)19)13(18)12-7-4-3-5-8-12/h2-5,7-8H,1,6,9-11H2/t15-/m0/s1.
What are the key properties of (3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one?
(3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one has a molecular weight of 261.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 53495123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).