2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide

C15H30N4O — CID 82927577

IUPAC2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C15H30N4O/c1-15(2,14(16)17-20)19-11-9-18(10-12-19)13-7-5-3-4-6-8-13/h13,20H,3-12H2,1-2H3,(H2,16,17)
InChIKeyDVECDALHDZXROO-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.85
Rot. Bonds3

About 2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide

2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 82927577) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
PubChem CID82927577
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C15H30N4O/c1-15(2,14(16)17-20)19-11-9-18(10-12-19)13-7-5-3-4-6-8-13/h13,20H,3-12H2,1-2H3,(H2,16,17)
InChIKeyDVECDALHDZXROO-UHFFFAOYSA-N
XLogP1.85
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.85
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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Related Compounds

2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 105361624
N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide
CID 107912433
2-(4-cyclohexylpiperazin-1-yl)-2-methylpropan-1-amine
CID 63343501
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 79935358
3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76941688
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012843
4-cyclopentylpiperazine-1-carboxamide
CID 57205906
N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide
CID 55219817
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012817
2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 79562785
N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide
CID 104982318

Frequently Asked Questions

What is the IUPAC name of 2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide (CID 82927577) is 2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide is CC(C)(C(N)=NO)N1CCN(C2CCCCCC2)CC1.
What is the InChIKey of 2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is DVECDALHDZXROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-15(2,14(16)17-20)19-11-9-18(10-12-19)13-7-5-3-4-6-8-13/h13,20H,3-12H2,1-2H3,(H2,16,17).
What are the key properties of 2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 282.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 82927577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).