N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide

C17H26ClN3O — CID 4789308

IUPACN-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)NC(C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClN3O/c1-3-7-20-8-10-21(11-9-20)13-17(22)19-14(2)15-5-4-6-16(18)12-15/h4-6,12,14H,3,7-11,13H2,1-2H3,(H,19,22)
InChIKeyKAAOVTYXXDMNGZ-UHFFFAOYSA-N
MW323.87 g/mol
LogP2.54
Rot. Bonds6

About N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide

N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide (PubChem CID 4789308) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide
PubChem CID4789308
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)NC(C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClN3O/c1-3-7-20-8-10-21(11-9-20)13-17(22)19-14(2)15-5-4-6-16(18)12-15/h4-6,12,14H,3,7-11,13H2,1-2H3,(H,19,22)
InChIKeyKAAOVTYXXDMNGZ-UHFFFAOYSA-N
XLogP2.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8904150
2-(4-aminopiperidin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371581
2-(4-benzyl-1,4-diazepan-1-yl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 18151861
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 8582775
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 8587355
N-[1-(3-chlorophenyl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 42913648
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 8531474
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8530025
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N-[1-(3-chlorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 42887409
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8904136

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide (CID 4789308) is N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide is CCCN1CCN(CC(=O)NC(C)c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide?
The InChIKey is KAAOVTYXXDMNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-3-7-20-8-10-21(11-9-20)13-17(22)19-14(2)15-5-4-6-16(18)12-15/h4-6,12,14H,3,7-11,13H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide?
N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide has a molecular weight of 323.87 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4789308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).