4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride

C13H26ClN5O3 — CID 119956526

IUPAC4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(N)CC(N)=O)CC1.Cl
InChIInChI=1S/C13H25N5O3.ClH/c1-3-16(4-2)13(21)18-7-5-17(6-8-18)12(20)10(14)9-11(15)19;/h10H,3-9,14H2,1-2H3,(H2,15,19);1H
InChIKeyOMDUMPPNZZVHEL-UHFFFAOYSA-N
MW335.84 g/mol
LogP-0.78
Rot. Bonds5

About 4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride

4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride (PubChem CID 119956526) has the molecular formula C13H26ClN5O3 and a molecular weight of 335.84 g/mol. Its IUPAC name is 4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride
PubChem CID119956526
Molecular FormulaC13H26ClN5O3
Molecular Weight335.84 g/mol
Exact Mass335.17
IUPAC Name4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(N)CC(N)=O)CC1.Cl
InChIInChI=1S/C13H25N5O3.ClH/c1-3-16(4-2)13(21)18-7-5-17(6-8-18)12(20)10(14)9-11(15)19;/h10H,3-9,14H2,1-2H3,(H2,15,19);1H
InChIKeyOMDUMPPNZZVHEL-UHFFFAOYSA-N
XLogP-0.78
TPSA112.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide
CID 61162840
ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate
CID 54916787
4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 55104467
3-amino-4-oxo-4-(4-propan-2-ylazepan-1-yl)butanamide;hydrochloride
CID 119957428
4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 106112145
4-(2-bromobutanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 62855786
3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide
CID 54874302
3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride
CID 119957116
3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride
CID 119957492
(2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide
CID 174538699
4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 120667255
3-[4-(2,4-diamino-4-oxobutanoyl)piperazin-1-yl]propanoic acid
CID 61162188

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride (CID 119956526) is 4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride is CCN(CC)C(=O)N1CCN(C(=O)C(N)CC(N)=O)CC1.Cl.
What is the InChIKey of 4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is OMDUMPPNZZVHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O3.ClH/c1-3-16(4-2)13(21)18-7-5-17(6-8-18)12(20)10(14)9-11(15)19;/h10H,3-9,14H2,1-2H3,(H2,15,19);1H.
What are the key properties of 4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119956526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).