1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide

C36H72I2N4O2 — CID 13300501

IUPAC1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide
SMILESCCCCCCCCCCN1CCCC(C(=O)N(C)CCN(C)C(=O)C2CCCN(CCCCCCCCCC)C2)C1.I.I
InChIInChI=1S/C36H70N4O2.2HI/c1-5-7-9-11-13-15-17-19-25-39-27-21-23-33(31-39)35(41)37(3)29-30-38(4)36(42)34-24-22-28-40(32-34)26-20-18-16-14-12-10-8-6-2;;/h33-34H,5-32H2,1-4H3;2*1H
InChIKeyGNPLSWJMRDMNCK-UHFFFAOYSA-N
MW846.81 g/mol
LogP8.84
Rot. Bonds23

About 1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide

1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide (PubChem CID 13300501) has the molecular formula C36H72I2N4O2 and a molecular weight of 846.81 g/mol. Its IUPAC name is 1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide.

Molecular Properties

Compound Name1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide
PubChem CID13300501
Molecular FormulaC36H72I2N4O2
Molecular Weight846.81 g/mol
Exact Mass846.37
IUPAC Name1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide
SMILESCCCCCCCCCCN1CCCC(C(=O)N(C)CCN(C)C(=O)C2CCCN(CCCCCCCCCC)C2)C1.I.I
InChIInChI=1S/C36H70N4O2.2HI/c1-5-7-9-11-13-15-17-19-25-39-27-21-23-33(31-39)35(41)37(3)29-30-38(4)36(42)34-24-22-28-40(32-34)26-20-18-16-14-12-10-8-6-2;;/h33-34H,5-32H2,1-4H3;2*1H
InChIKeyGNPLSWJMRDMNCK-UHFFFAOYSA-N
XLogP8.84
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.81
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide?
The IUPAC name of 1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide (CID 13300501) is 1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide.
What is the SMILES notation for 1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide?
The canonical SMILES for 1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide is CCCCCCCCCCN1CCCC(C(=O)N(C)CCN(C)C(=O)C2CCCN(CCCCCCCCCC)C2)C1.I.I.
What is the InChIKey of 1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide?
The InChIKey is GNPLSWJMRDMNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H70N4O2.2HI/c1-5-7-9-11-13-15-17-19-25-39-27-21-23-33(31-39)35(41)37(3)29-30-38(4)36(42)34-24-22-28-40(32-34)26-20-18-16-14-12-10-8-6-2;;/h33-34H,5-32H2,1-4H3;2*1H.
What are the key properties of 1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide?
1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide has a molecular weight of 846.81 g/mol, XLogP of 8.84, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-N-[2-[(1-decylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide;dihydroiodide is sourced from PubChem (CID 13300501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).