3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide

C15H20Cl2N2O — CID 120553265

IUPAC3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
SMILESCC1CNCCC1NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-10-9-18-7-6-14(10)19-15(20)5-3-11-2-4-12(16)8-13(11)17/h2,4,8,10,14,18H,3,5-7,9H2,1H3,(H,19,20)
InChIKeyCXPOIPOPTGCPOO-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.04
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide

3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide (PubChem CID 120553265) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
PubChem CID120553265
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
SMILESCC1CNCCC1NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-10-9-18-7-6-14(10)19-15(20)5-3-11-2-4-12(16)8-13(11)17/h2,4,8,10,14,18H,3,5-7,9H2,1H3,(H,19,20)
InChIKeyCXPOIPOPTGCPOO-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide 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

3-(2,4-dichlorophenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428293
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120555813
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide
CID 100605785
N-(2-bicyclo[2.2.1]heptanyl)-3-(2,4-dichlorophenyl)propanamide
CID 133225055
3-(2,4-dichlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103751500
3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120554957
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide
CID 119604389

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide (CID 120553265) is 3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide is CC1CNCCC1NC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide?
The InChIKey is CXPOIPOPTGCPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10-9-18-7-6-14(10)19-15(20)5-3-11-2-4-12(16)8-13(11)17/h2,4,8,10,14,18H,3,5-7,9H2,1H3,(H,19,20).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide?
3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide has a molecular weight of 315.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120553265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).