2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide

C12H22N4O2 — CID 55202553

IUPAC2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(/C(N)=N/O)N1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C12H22N4O2/c1-9(12(13)14-18)15-4-6-16(7-5-15)11(17)8-10-2-3-10/h9-10,18H,2-8H2,1H3,(H2,13,14)
InChIKeySITSULKFPKYBRK-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.07
Rot. Bonds4

About 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide

2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 55202553) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID55202553
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(/C(N)=N/O)N1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C12H22N4O2/c1-9(12(13)14-18)15-4-6-16(7-5-15)11(17)8-10-2-3-10/h9-10,18H,2-8H2,1H3,(H2,13,14)
InChIKeySITSULKFPKYBRK-UHFFFAOYSA-N
XLogP0.07
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide (CID 55202553) is 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide is CC(/C(N)=N/O)N1CCN(C(=O)CC2CC2)CC1.
What is the InChIKey of 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is SITSULKFPKYBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9(12(13)14-18)15-4-6-16(7-5-15)11(17)8-10-2-3-10/h9-10,18H,2-8H2,1H3,(H2,13,14).
What are the key properties of 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 254.33 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 55202553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).