N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide

C15H21Cl2N3O — CID 43130681

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide
SMILESCC(NC(=O)C(C)N1CCNCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O/c1-10(13-4-3-12(16)9-14(13)17)19-15(21)11(2)20-7-5-18-6-8-20/h3-4,9-11,18H,5-8H2,1-2H3,(H,19,21)
InChIKeyWXOKNVUSCNQHGG-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.46
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide (PubChem CID 43130681) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide
PubChem CID43130681
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide
SMILESCC(NC(=O)C(C)N1CCNCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O/c1-10(13-4-3-12(16)9-14(13)17)19-15(21)11(2)20-7-5-18-6-8-20/h3-4,9-11,18H,5-8H2,1-2H3,(H,19,21)
InChIKeyWXOKNVUSCNQHGG-UHFFFAOYSA-N
XLogP2.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 116674633
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide
CID 95784079
1-[bis(2,4-dichlorophenyl)methyl]piperazine
CID 3373425
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683877
N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119683871
4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4-oxobutanamide
CID 9427010
N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 55965610
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide (CID 43130681) is N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide is CC(NC(=O)C(C)N1CCNCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide?
The InChIKey is WXOKNVUSCNQHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-10(13-4-3-12(16)9-14(13)17)19-15(21)11(2)20-7-5-18-6-8-20/h3-4,9-11,18H,5-8H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide has a molecular weight of 330.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 43130681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).