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

C19H29Cl2N3O2 — CID 120738621

IUPAC5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
SMILESCCN(CC)C(=O)CCCC(=O)N1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C19H28ClN3O2.ClH/c1-3-22(4-2)18(24)10-7-11-19(25)23-13-12-21-14-17(23)15-8-5-6-9-16(15)20;/h5-6,8-9,17,21H,3-4,7,10-14H2,1-2H3;1H
InChIKeyWEAFLELLPVQEEY-UHFFFAOYSA-N
MW402.37 g/mol
LogP3.27
Rot. Bonds7

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

5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride (PubChem CID 120738621) has the molecular formula C19H29Cl2N3O2 and a molecular weight of 402.37 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
PubChem CID120738621
Molecular FormulaC19H29Cl2N3O2
Molecular Weight402.37 g/mol
Exact Mass401.16
IUPAC Name5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
SMILESCCN(CC)C(=O)CCCC(=O)N1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C19H28ClN3O2.ClH/c1-3-22(4-2)18(24)10-7-11-19(25)23-13-12-21-14-17(23)15-8-5-6-9-16(15)20;/h5-6,8-9,17,21H,3-4,7,10-14H2,1-2H3;1H
InChIKeyWEAFLELLPVQEEY-UHFFFAOYSA-N
XLogP3.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566
5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
CID 120739793
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
1-[2-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120739571
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120738623
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide
CID 120738630
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 120738747

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride?
The IUPAC name of 5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride (CID 120738621) is 5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride.
What is the SMILES notation for 5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride?
The canonical SMILES for 5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride is CCN(CC)C(=O)CCCC(=O)N1CCNCC1c1ccccc1Cl.Cl.
What is the InChIKey of 5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride?
The InChIKey is WEAFLELLPVQEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2.ClH/c1-3-22(4-2)18(24)10-7-11-19(25)23-13-12-21-14-17(23)15-8-5-6-9-16(15)20;/h5-6,8-9,17,21H,3-4,7,10-14H2,1-2H3;1H.
What are the key properties of 5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride?
5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride has a molecular weight of 402.37 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 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,N-diethyl-5-oxopentanamide;hydrochloride is sourced from PubChem (CID 120738621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).