3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one

C15H18ClNO — CID 2931190

IUPAC3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
SMILESCC1CCCCN1C(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO/c1-12-4-2-3-11-17(12)15(18)10-7-13-5-8-14(16)9-6-13/h5-10,12H,2-4,11H2,1H3
InChIKeySTUCBNRKSRALGB-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.75
Rot. Bonds2

About 3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one

3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 2931190) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
PubChem CID2931190
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
SMILESCC1CCCCN1C(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO/c1-12-4-2-3-11-17(12)15(18)10-7-13-5-8-14(16)9-6-13/h5-10,12H,2-4,11H2,1H3
InChIKeySTUCBNRKSRALGB-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-1-(2-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

1-[3-(4-chlorophenyl)prop-2-enoyl]piperidine-2-carboxylic acid
CID 57367922
(E)-3-(4-ethoxyphenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 42905212
(E)-3-(4-chlorophenyl)-1-[(2R)-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 82704903
3-(4-chloro-3-nitrophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 75616631
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 77015416
(E)-3-(3-aminophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 115342584
3-(4-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 79030316
(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 43010826
3-(4-chlorophenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 809689
(E)-1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 115491830
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 82153459
3-(5-bromothiophen-2-yl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 78770488

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one (CID 2931190) is 3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one is CC1CCCCN1C(=O)C=Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is STUCBNRKSRALGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-12-4-2-3-11-17(12)15(18)10-7-13-5-8-14(16)9-6-13/h5-10,12H,2-4,11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one?
3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 263.77 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 2931190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).