3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide

C13H24N4O2 — CID 76941688

IUPAC3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
SMILESCC(C(=O)N1CCN(C2CCCC2)CC1)C(N)=NO
InChIInChI=1S/C13H24N4O2/c1-10(12(14)15-19)13(18)17-8-6-16(7-9-17)11-4-2-3-5-11/h10-11,19H,2-9H2,1H3,(H2,14,15)
InChIKeyZPMGOPBDMXXQKR-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.46
Rot. Bonds3

About 3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide

3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide (PubChem CID 76941688) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide.

Molecular Properties

Compound Name3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
PubChem CID76941688
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
SMILESCC(C(=O)N1CCN(C2CCCC2)CC1)C(N)=NO
InChIInChI=1S/C13H24N4O2/c1-10(12(14)15-19)13(18)17-8-6-16(7-9-17)11-4-2-3-5-11/h10-11,19H,2-9H2,1H3,(H2,14,15)
InChIKeyZPMGOPBDMXXQKR-UHFFFAOYSA-N
XLogP0.46
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.46
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'}

Analyze 3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76925389
3-(azocan-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76924604
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252
3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76924633
1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide
CID 76924824
4-cyclopentylpiperazine-1-carboxamide
CID 57205906
1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one
CID 110708879
3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76927561
N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide
CID 76925224
1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one
CID 107024691
4-cyclobutylpiperazine-1-carboxamide
CID 53426578
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide?
The IUPAC name of 3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide (CID 76941688) is 3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide.
What is the SMILES notation for 3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide?
The canonical SMILES for 3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide is CC(C(=O)N1CCN(C2CCCC2)CC1)C(N)=NO.
What is the InChIKey of 3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide?
The InChIKey is ZPMGOPBDMXXQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10(12(14)15-19)13(18)17-8-6-16(7-9-17)11-4-2-3-5-11/h10-11,19H,2-9H2,1H3,(H2,14,15).
What are the key properties of 3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide?
3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide has a molecular weight of 268.36 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide is sourced from PubChem (CID 76941688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).