4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide

C14H27N3O — CID 59657740

IUPAC4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide
SMILESN/C(CCCC1CCN(C2CCCC2)CC1)=N\O
InChIInChI=1S/C14H27N3O/c15-14(16-18)7-3-4-12-8-10-17(11-9-12)13-5-1-2-6-13/h12-13,18H,1-11H2,(H2,15,16)
InChIKeyJXMYWZYBZPZNPS-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.56
Rot. Bonds5

About 4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide

4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide (PubChem CID 59657740) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide
PubChem CID59657740
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide
SMILESN/C(CCCC1CCN(C2CCCC2)CC1)=N\O
InChIInChI=1S/C14H27N3O/c15-14(16-18)7-3-4-12-8-10-17(11-9-12)13-5-1-2-6-13/h12-13,18H,1-11H2,(H2,15,16)
InChIKeyJXMYWZYBZPZNPS-UHFFFAOYSA-N
XLogP2.56
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide (CID 59657740) is 4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide is N/C(CCCC1CCN(C2CCCC2)CC1)=N\O.
What is the InChIKey of 4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide?
The InChIKey is JXMYWZYBZPZNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c15-14(16-18)7-3-4-12-8-10-17(11-9-12)13-5-1-2-6-13/h12-13,18H,1-11H2,(H2,15,16).
What are the key properties of 4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide?
4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide has a molecular weight of 253.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 59657740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).