N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide

C10H21N5O — CID 104886722

IUPACN-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCN(C)C(=O)C1
InChIInChI=1S/C10H21N5O/c1-3-4-5-12-10(13-11)15-7-6-14(2)9(16)8-15/h3-8,11H2,1-2H3,(H,12,13)
InChIKeyYIEWZHFXSSSNJB-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.62
Rot. Bonds3

About N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide

N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide (PubChem CID 104886722) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide
PubChem CID104886722
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC NameN-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCN(C)C(=O)C1
InChIInChI=1S/C10H21N5O/c1-3-4-5-12-10(13-11)15-7-6-14(2)9(16)8-15/h3-8,11H2,1-2H3,(H,12,13)
InChIKeyYIEWZHFXSSSNJB-UHFFFAOYSA-N
XLogP-0.62
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-(2-methoxyethyl)-4-methyl-3-oxo-1,4-diazepane-1-carboximidamide
CID 102888038
N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883912
N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide
CID 104886290
N-amino-3-oxo-N'-propylpiperazine-1-carboximidamide
CID 104883370
4-butanoyl-1-methylpiperazin-2-one
CID 64693337
N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide
CID 116512916
N-ethyl-4-methyl-3-oxopiperazine-1-carboxamide
CID 89097126
1-methyl-4-propanoylpiperazin-2-one
CID 64693548
N-amino-N'-butyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboximidamide
CID 116515128
N-amino-N'-butyl-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide
CID 116513050
N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide
CID 116511221
ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate
CID 110476247

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide (CID 104886722) is N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide is CCCC/N=C(\NN)N1CCN(C)C(=O)C1.
What is the InChIKey of N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is YIEWZHFXSSSNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-3-4-5-12-10(13-11)15-7-6-14(2)9(16)8-15/h3-8,11H2,1-2H3,(H,12,13).
What are the key properties of N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide?
N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 227.31 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 104886722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).