3-oxopiperazine-1-carboximidamide;hydrochloride

C5H11ClN4O — CID 135397176

IUPAC3-oxopiperazine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCNC(=O)C1
InChIInChI=1S/C5H10N4O.ClH/c6-5(7)9-2-1-8-4(10)3-9;/h1-3H2,(H3,6,7)(H,8,10);1H
InChIKeyYLDUFEWPGPGTFU-UHFFFAOYSA-N
MW178.62 g/mol
LogP-1.27
Rot. Bonds

About 3-oxopiperazine-1-carboximidamide;hydrochloride

3-oxopiperazine-1-carboximidamide;hydrochloride (PubChem CID 135397176) has the molecular formula C5H11ClN4O and a molecular weight of 178.62 g/mol. Its IUPAC name is 3-oxopiperazine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name3-oxopiperazine-1-carboximidamide;hydrochloride
PubChem CID135397176
Molecular FormulaC5H11ClN4O
Molecular Weight178.62 g/mol
Exact Mass178.06
IUPAC Name3-oxopiperazine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCNC(=O)C1
InChIInChI=1S/C5H10N4O.ClH/c6-5(7)9-2-1-8-4(10)3-9;/h1-3H2,(H3,6,7)(H,8,10);1H
InChIKeyYLDUFEWPGPGTFU-UHFFFAOYSA-N
XLogP-1.27
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropanecarboximidoyl)piperazin-2-one
CID 63178688
4-acetylpiperazin-2-one
CID 12744517
4-prop-2-enoylpiperazin-2-one
CID 43616246
chloromethyl 3-oxopiperazine-1-carboxylate
CID 164660429
4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride
CID 56831864
N'-cyclopropyl-3-oxopiperazine-1-carboximidamide
CID 62359558
4-(3,3-dimethylbut-1-en-2-yl)piperazin-2-one
CID 167021506
4-oxopiperidine-1-carboximidamide
CID 19089226
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571
4-(2,2,2-trifluoroacetyl)piperazin-2-one
CID 62733743
4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride
CID 119681640

Frequently Asked Questions

What is the IUPAC name of 3-oxopiperazine-1-carboximidamide;hydrochloride?
The IUPAC name of 3-oxopiperazine-1-carboximidamide;hydrochloride (CID 135397176) is 3-oxopiperazine-1-carboximidamide;hydrochloride.
What is the SMILES notation for 3-oxopiperazine-1-carboximidamide;hydrochloride?
The canonical SMILES for 3-oxopiperazine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1CCNC(=O)C1.
What is the InChIKey of 3-oxopiperazine-1-carboximidamide;hydrochloride?
The InChIKey is YLDUFEWPGPGTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O.ClH/c6-5(7)9-2-1-8-4(10)3-9;/h1-3H2,(H3,6,7)(H,8,10);1H.
What are the key properties of 3-oxopiperazine-1-carboximidamide;hydrochloride?
3-oxopiperazine-1-carboximidamide;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -1.27, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxopiperazine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 135397176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).