N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride

C15H32Cl2N4O2 — CID 119837473

IUPACN,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CCCNC)CC1.Cl.Cl
InChIInChI=1S/C15H30N4O2.2ClH/c1-4-18(5-2)15(21)13-17-9-11-19(12-10-17)14(20)7-6-8-16-3;;/h16H,4-13H2,1-3H3;2*1H
InChIKeyXLNLOARGXIBISY-UHFFFAOYSA-N
MW371.35 g/mol
LogP0.84
Rot. Bonds8

About N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride

N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 119837473) has the molecular formula C15H32Cl2N4O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride
PubChem CID119837473
Molecular FormulaC15H32Cl2N4O2
Molecular Weight371.35 g/mol
Exact Mass370.19
IUPAC NameN,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CCCNC)CC1.Cl.Cl
InChIInChI=1S/C15H30N4O2.2ClH/c1-4-18(5-2)15(21)13-17-9-11-19(12-10-17)14(20)7-6-8-16-3;;/h16H,4-13H2,1-3H3;2*1H
InChIKeyXLNLOARGXIBISY-UHFFFAOYSA-N
XLogP0.84
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide
CID 119837474
tert-butyl N-[4-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-4-oxobutyl]carbamate
CID 55447166
2-[4-(6-acetamidohexanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55603367
4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119834225
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-(methylamino)butan-1-one
CID 62890166
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946
2-[4-(4-aminopentanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 120564514
4-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119806019
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119743484
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43397406
1-(3,5-dimethylpiperidin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119671954

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride (CID 119837473) is N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride is CCN(CC)C(=O)CN1CCN(C(=O)CCCNC)CC1.Cl.Cl.
What is the InChIKey of N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is XLNLOARGXIBISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2.2ClH/c1-4-18(5-2)15(21)13-17-9-11-19(12-10-17)14(20)7-6-8-16-3;;/h16H,4-13H2,1-3H3;2*1H.
What are the key properties of N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride?
N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 371.35 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119837473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).