N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide

C16H21Cl2N3O2 — CID 113133960

IUPACN-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H21Cl2N3O2/c1-12(22)21(15-11-13(17)3-4-14(15)18)6-5-16(23)20-9-7-19(2)8-10-20/h3-4,11H,5-10H2,1-2H3
InChIKeyRSJQNERNSGOXMS-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.51
Rot. Bonds4

About N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide

N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113133960) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
PubChem CID113133960
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC NameN-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H21Cl2N3O2/c1-12(22)21(15-11-13(17)3-4-14(15)18)6-5-16(23)20-9-7-19(2)8-10-20/h3-4,11H,5-10H2,1-2H3
InChIKeyRSJQNERNSGOXMS-UHFFFAOYSA-N
XLogP2.51
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113133995
N-(2,5-dichlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113179693
N-(5-chloro-2-methylphenyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113127710
N-(5-chloro-2-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113172796
N-(2-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127019
N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171118
N-(4-chloro-2-methylphenyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113127859
N-(2-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113127071
N-(4-acetylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113130796
N-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171492
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113130317
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide
CID 113133616

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide (CID 113133960) is N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCN(C)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is RSJQNERNSGOXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O2/c1-12(22)21(15-11-13(17)3-4-14(15)18)6-5-16(23)20-9-7-19(2)8-10-20/h3-4,11H,5-10H2,1-2H3.
What are the key properties of N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 358.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113133960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).