N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide

C14H19Cl2N3O — CID 59671452

IUPACN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-11(20)17-5-6-18-7-9-19(10-8-18)13-4-2-3-12(15)14(13)16/h2-4H,5-10H2,1H3,(H,17,20)
InChIKeyZFKHRYFDPPVZAW-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.25
Rot. Bonds4

About N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide

N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 59671452) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
PubChem CID59671452
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC NameN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-11(20)17-5-6-18-7-9-19(10-8-18)13-4-2-3-12(15)14(13)16/h2-4H,5-10H2,1H3,(H,17,20)
InChIKeyZFKHRYFDPPVZAW-UHFFFAOYSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 158120690
CID 158120690
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 8754411
5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide
CID 45279763
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 58358858
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 11618583
1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride
CID 141198642
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethyl-5-pyridin-3-ylpyrrole-3-carboxamide
CID 45278726
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methyl-1-phenyl-2-propylimidazole-4-carboxamide;dihydrochloride
CID 54576140
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide
CID 11568598
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-1-propyl-5-pyridin-4-ylpyrrole-3-carboxamide
CID 58358820

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide (CID 59671452) is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is ZFKHRYFDPPVZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-11(20)17-5-6-18-7-9-19(10-8-18)13-4-2-3-12(15)14(13)16/h2-4H,5-10H2,1H3,(H,17,20).
What are the key properties of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide?
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 316.23 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 59671452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).