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

C14H27N5O — CID 176518461

IUPACN'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(/N=C(\N)N1CCCC(C)C1)N1CCC(OC)CC1
InChIInChI=1S/C14H27N5O/c1-11-4-3-7-19(10-11)14(16)17-13(15)18-8-5-12(20-2)6-9-18/h11-12H,3-10H2,1-2H3,(H3,15,16,17)
InChIKeyXVBHFIGEMNREIX-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.08
Rot. Bonds1

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

N'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide (PubChem CID 176518461) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is N'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide
PubChem CID176518461
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC NameN'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(/N=C(\N)N1CCCC(C)C1)N1CCC(OC)CC1
InChIInChI=1S/C14H27N5O/c1-11-4-3-7-19(10-11)14(16)17-13(15)18-8-5-12(20-2)6-9-18/h11-12H,3-10H2,1-2H3,(H3,15,16,17)
InChIKeyXVBHFIGEMNREIX-UHFFFAOYSA-N
XLogP1.08
TPSA77.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.08
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'}

Analyze N'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide (CID 176518461) is N'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide is [H]/N=C(/N=C(\N)N1CCCC(C)C1)N1CCC(OC)CC1.
What is the InChIKey of N'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide?
The InChIKey is XVBHFIGEMNREIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-11-4-3-7-19(10-11)14(16)17-13(15)18-8-5-12(20-2)6-9-18/h11-12H,3-10H2,1-2H3,(H3,15,16,17).
What are the key properties of N'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide?
N'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide has a molecular weight of 281.40 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 176518461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).