N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide

C16H22Cl2N2O — CID 62211031

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2O/c17-14-3-2-13(15(18)11-14)7-10-20-16(21)4-1-12-5-8-19-9-6-12/h2-3,11-12,19H,1,4-10H2,(H,20,21)
InChIKeyXXWWFULZPQIZEF-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.43
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide (PubChem CID 62211031) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
PubChem CID62211031
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2O/c17-14-3-2-13(15(18)11-14)7-10-20-16(21)4-1-12-5-8-19-9-6-12/h2-3,11-12,19H,1,4-10H2,(H,20,21)
InChIKeyXXWWFULZPQIZEF-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide 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

N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
N-[2-(2-fluorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 62211196
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62212576
N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide
CID 110866286
2-(cyclopropylcarbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 112995921
N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119813601
N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide
CID 166331353
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
N-(3-aminopropyl)-3-piperidin-4-ylpropanamide
CID 62211796
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216
N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777056

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide (CID 62211031) is N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide is O=C(CCC1CCNCC1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide?
The InChIKey is XXWWFULZPQIZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c17-14-3-2-13(15(18)11-14)7-10-20-16(21)4-1-12-5-8-19-9-6-12/h2-3,11-12,19H,1,4-10H2,(H,20,21).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide has a molecular weight of 329.27 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62211031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).