4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride

C11H23ClN4O2 — CID 119695739

IUPAC4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(C(=O)CC(C)N)CC1.Cl
InChIInChI=1S/C11H22N4O2.ClH/c1-3-13-11(17)15-6-4-14(5-7-15)10(16)8-9(2)12;/h9H,3-8,12H2,1-2H3,(H,13,17);1H
InChIKeyMPOZSMBDKVFPOS-UHFFFAOYSA-N
MW278.78 g/mol
LogP0.02
Rot. Bonds3

About 4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride

4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride (PubChem CID 119695739) has the molecular formula C11H23ClN4O2 and a molecular weight of 278.78 g/mol. Its IUPAC name is 4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride
PubChem CID119695739
Molecular FormulaC11H23ClN4O2
Molecular Weight278.78 g/mol
Exact Mass278.15
IUPAC Name4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(C(=O)CC(C)N)CC1.Cl
InChIInChI=1S/C11H22N4O2.ClH/c1-3-13-11(17)15-6-4-14(5-7-15)10(16)8-9(2)12;/h9H,3-8,12H2,1-2H3,(H,13,17);1H
InChIKeyMPOZSMBDKVFPOS-UHFFFAOYSA-N
XLogP0.02
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide
CID 120872775
4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide
CID 63679902
(2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide
CID 175256682
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide
CID 112723929
3-amino-1-thiomorpholin-4-ylbutan-1-one
CID 60835990
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
CID 107904221
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride
CID 119695730
N,4-diethylpiperazine-1-carboxamide
CID 22309084

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride (CID 119695739) is 4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride is CCNC(=O)N1CCN(C(=O)CC(C)N)CC1.Cl.
What is the InChIKey of 4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is MPOZSMBDKVFPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2.ClH/c1-3-13-11(17)15-6-4-14(5-7-15)10(16)8-9(2)12;/h9H,3-8,12H2,1-2H3,(H,13,17);1H.
What are the key properties of 4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride?
4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119695739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).