N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide

C14H18ClN3O2 — CID 120739448

IUPACN-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-10(19)17-9-14(20)18-7-6-16-8-13(18)11-4-2-3-5-12(11)15/h2-5,13,16H,6-9H2,1H3,(H,17,19)
InChIKeyZMZNJTYXCDCFSK-UHFFFAOYSA-N
MW295.77 g/mol
LogP0.95
Rot. Bonds3

About N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide

N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 120739448) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID120739448
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-10(19)17-9-14(20)18-7-6-16-8-13(18)11-4-2-3-5-12(11)15/h2-5,13,16H,6-9H2,1H3,(H,17,19)
InChIKeyZMZNJTYXCDCFSK-UHFFFAOYSA-N
XLogP0.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 120739011
N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 120739195
N-[4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120739887
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 120739908
5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
CID 120739793
4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120738623
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
CID 120739581
1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 120739448) is N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is ZMZNJTYXCDCFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-10(19)17-9-14(20)18-7-6-16-8-13(18)11-4-2-3-5-12(11)15/h2-5,13,16H,6-9H2,1H3,(H,17,19).
What are the key properties of N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 295.77 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 120739448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).