5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride

C15H30ClN3O2 — CID 120571955

IUPAC5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride
SMILESCCN(CC)C(=O)CCCC(=O)N1CCNC(C)C1C.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-5-17(6-2)14(19)8-7-9-15(20)18-11-10-16-12(3)13(18)4;/h12-13,16H,5-11H2,1-4H3;1H
InChIKeyOENZEYVUGGVWOR-UHFFFAOYSA-N
MW319.88 g/mol
LogP1.66
Rot. Bonds6

About 5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride

5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride (PubChem CID 120571955) has the molecular formula C15H30ClN3O2 and a molecular weight of 319.88 g/mol. Its IUPAC name is 5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride.

Molecular Properties

Compound Name5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride
PubChem CID120571955
Molecular FormulaC15H30ClN3O2
Molecular Weight319.88 g/mol
Exact Mass319.20
IUPAC Name5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride
SMILESCCN(CC)C(=O)CCCC(=O)N1CCNC(C)C1C.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-5-17(6-2)14(19)8-7-9-15(20)18-11-10-16-12(3)13(18)4;/h12-13,16H,5-11H2,1-4H3;1H
InChIKeyOENZEYVUGGVWOR-UHFFFAOYSA-N
XLogP1.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylpiperazin-1-yl)-4-methoxybutan-1-one;hydrochloride
CID 120570561
3-butylsulfanyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120569467
1-(2,3-dimethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 120569587
3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120570290
4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120572031
1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride
CID 120613613
1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 120572504
4-(2-bromophenoxy)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120572545
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride
CID 120569760
N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
CID 120571953
2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 122081276

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride?
The IUPAC name of 5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride (CID 120571955) is 5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride.
What is the SMILES notation for 5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride?
The canonical SMILES for 5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride is CCN(CC)C(=O)CCCC(=O)N1CCNC(C)C1C.Cl.
What is the InChIKey of 5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride?
The InChIKey is OENZEYVUGGVWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.ClH/c1-5-17(6-2)14(19)8-7-9-15(20)18-11-10-16-12(3)13(18)4;/h12-13,16H,5-11H2,1-4H3;1H.
What are the key properties of 5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride?
5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride is sourced from PubChem (CID 120571955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).