N'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide

C15H29N5O — CID 176518471

IUPACN'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(/N=C(\N)N1CCCC(C)C1)N1CCC(OCC)CC1
InChIInChI=1S/C15H29N5O/c1-3-21-13-6-9-19(10-7-13)14(16)18-15(17)20-8-4-5-12(2)11-20/h12-13H,3-11H2,1-2H3,(H3,16,17,18)
InChIKeySZCDEWFNZNLYOJ-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.47
Rot. Bonds2

About N'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide

N'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide (PubChem CID 176518471) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is N'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide
PubChem CID176518471
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC NameN'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(/N=C(\N)N1CCCC(C)C1)N1CCC(OCC)CC1
InChIInChI=1S/C15H29N5O/c1-3-21-13-6-9-19(10-7-13)14(16)18-15(17)20-8-4-5-12(2)11-20/h12-13H,3-11H2,1-2H3,(H3,16,17,18)
InChIKeySZCDEWFNZNLYOJ-UHFFFAOYSA-N
XLogP1.47
TPSA77.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide (CID 176518471) is N'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide is [H]/N=C(/N=C(\N)N1CCCC(C)C1)N1CCC(OCC)CC1.
What is the InChIKey of N'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide?
The InChIKey is SZCDEWFNZNLYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-3-21-13-6-9-19(10-7-13)14(16)18-15(17)20-8-4-5-12(2)11-20/h12-13H,3-11H2,1-2H3,(H3,16,17,18).
What are the key properties of N'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide?
N'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide has a molecular weight of 295.43 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 176518471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).