2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide

C10H20N4O — CID 63606597

IUPAC2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide
SMILESCC(C)/N=C(\N)N1CCNC(=O)C1(C)C
InChIInChI=1S/C10H20N4O/c1-7(2)13-9(11)14-6-5-12-8(15)10(14,3)4/h7H,5-6H2,1-4H3,(H2,11,13)(H,12,15)
InChIKeyFOECRJXTNPNIIG-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.08
Rot. Bonds1

About 2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide

2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide (PubChem CID 63606597) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide
PubChem CID63606597
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide
SMILESCC(C)/N=C(\N)N1CCNC(=O)C1(C)C
InChIInChI=1S/C10H20N4O/c1-7(2)13-9(11)14-6-5-12-8(15)10(14,3)4/h7H,5-6H2,1-4H3,(H2,11,13)(H,12,15)
InChIKeyFOECRJXTNPNIIG-UHFFFAOYSA-N
XLogP-0.08
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
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

N'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide
CID 55216131
4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride
CID 120500452
4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one
CID 63607228
4-(3-bromoprop-2-ynoyl)-3,3-dimethylpiperazin-2-one
CID 130708613
4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 23790775
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
4-[(E)-but-2-enoyl]-3,3-dimethylpiperazin-2-one
CID 63606699
4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenecarbothioamide
CID 63606089
4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one
CID 63606211
(2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 63606784
3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
CID 63606213

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide?
The IUPAC name of 2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide (CID 63606597) is 2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for 2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for 2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide is CC(C)/N=C(\N)N1CCNC(=O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide?
The InChIKey is FOECRJXTNPNIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-7(2)13-9(11)14-6-5-12-8(15)10(14,3)4/h7H,5-6H2,1-4H3,(H2,11,13)(H,12,15).
What are the key properties of 2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide?
2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide has a molecular weight of 212.30 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 63606597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).