1-(6-methoxyhexyl)piperidine-4-carboxamide

C13H26N2O2 — CID 139907421

IUPAC1-(6-methoxyhexyl)piperidine-4-carboxamide
SMILESCOCCCCCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C13H26N2O2/c1-17-11-5-3-2-4-8-15-9-6-12(7-10-15)13(14)16/h12H,2-11H2,1H3,(H2,14,16)
InChIKeyPLPCCHWMVUXESG-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds8

About 1-(6-methoxyhexyl)piperidine-4-carboxamide

1-(6-methoxyhexyl)piperidine-4-carboxamide (PubChem CID 139907421) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(6-methoxyhexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-methoxyhexyl)piperidine-4-carboxamide
PubChem CID139907421
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(6-methoxyhexyl)piperidine-4-carboxamide
SMILESCOCCCCCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C13H26N2O2/c1-17-11-5-3-2-4-8-15-9-6-12(7-10-15)13(14)16/h12H,2-11H2,1H3,(H2,14,16)
InChIKeyPLPCCHWMVUXESG-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyhexyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-methoxyhexyl)piperidine-4-carboxamide (CID 139907421) is 1-(6-methoxyhexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-methoxyhexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-methoxyhexyl)piperidine-4-carboxamide is COCCCCCCN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(6-methoxyhexyl)piperidine-4-carboxamide?
The InChIKey is PLPCCHWMVUXESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-17-11-5-3-2-4-8-15-9-6-12(7-10-15)13(14)16/h12H,2-11H2,1H3,(H2,14,16).
What are the key properties of 1-(6-methoxyhexyl)piperidine-4-carboxamide?
1-(6-methoxyhexyl)piperidine-4-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyhexyl)piperidine-4-carboxamide is sourced from PubChem (CID 139907421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).