5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride

C17H25Cl2N3O2 — CID 120739793

IUPAC5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
SMILESCCNC(=O)CCCC(=O)N1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-2-20-16(22)8-5-9-17(23)21-11-10-19-12-15(21)13-6-3-4-7-14(13)18;/h3-4,6-7,15,19H,2,5,8-12H2,1H3,(H,20,22);1H
InChIKeyWROGGXMIMZRZLJ-UHFFFAOYSA-N
MW374.31 g/mol
LogP2.54
Rot. Bonds6

About 5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride

5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride (PubChem CID 120739793) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
PubChem CID120739793
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC Name5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
SMILESCCNC(=O)CCCC(=O)N1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-2-20-16(22)8-5-9-17(23)21-11-10-19-12-15(21)13-6-3-4-7-14(13)18;/h3-4,6-7,15,19H,2,5,8-12H2,1H3,(H,20,22);1H
InChIKeyWROGGXMIMZRZLJ-UHFFFAOYSA-N
XLogP2.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120738623
5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 120738621
5-[2-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
CID 120801869
1-[2-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120739571
1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 120739448
N-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 120738732
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride?
The IUPAC name of 5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride (CID 120739793) is 5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride.
What is the SMILES notation for 5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride?
The canonical SMILES for 5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride is CCNC(=O)CCCC(=O)N1CCNCC1c1ccccc1Cl.Cl.
What is the InChIKey of 5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride?
The InChIKey is WROGGXMIMZRZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2.ClH/c1-2-20-16(22)8-5-9-17(23)21-11-10-19-12-15(21)13-6-3-4-7-14(13)18;/h3-4,6-7,15,19H,2,5,8-12H2,1H3,(H,20,22);1H.
What are the key properties of 5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride?
5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride has a molecular weight of 374.31 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride is sourced from PubChem (CID 120739793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).