3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one

C15H18ClNO — CID 2891510

IUPAC3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
SMILESCC1CCCN(C(=O)C=Cc2ccccc2Cl)C1
InChIInChI=1S/C15H18ClNO/c1-12-5-4-10-17(11-12)15(18)9-8-13-6-2-3-7-14(13)16/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyOPXDBXCYQLUPKR-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.61
Rot. Bonds2

About 3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one

3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 2891510) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
PubChem CID2891510
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
SMILESCC1CCCN(C(=O)C=Cc2ccccc2Cl)C1
InChIInChI=1S/C15H18ClNO/c1-12-5-4-10-17(11-12)15(18)9-8-13-6-2-3-7-14(13)16/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyOPXDBXCYQLUPKR-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2-chlorophenyl)-1-[(3S)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 880034
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 6103873
(E)-1-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one
CID 154845277
3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 102603213
3-(2-chlorophenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)prop-2-en-1-one
CID 171136723
(E)-3-(2-chlorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]prop-2-en-1-one
CID 90505090
(E)-3-(2-chlorophenyl)-1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 117054755
(2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one
CID 24842724
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(E)-3-(2-chlorophenyl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)prop-2-en-1-one
CID 117054772
3-(2,3-dichlorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]prop-2-en-1-one
CID 126793281
1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 43239448

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one (CID 2891510) is 3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one is CC1CCCN(C(=O)C=Cc2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is OPXDBXCYQLUPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-12-5-4-10-17(11-12)15(18)9-8-13-6-2-3-7-14(13)16/h2-3,6-9,12H,4-5,10-11H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one?
3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 263.77 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 2891510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).