N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide

C13H26N2O2 — CID 114130968

IUPACN-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide
SMILESCOCCCCCNC(=O)C1CNCC(C)C1
InChIInChI=1S/C13H26N2O2/c1-11-8-12(10-14-9-11)13(16)15-6-4-3-5-7-17-2/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeySSBNXUJLXDRSFU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.16
Rot. Bonds7

About N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide

N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide (PubChem CID 114130968) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide
PubChem CID114130968
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide
SMILESCOCCCCCNC(=O)C1CNCC(C)C1
InChIInChI=1S/C13H26N2O2/c1-11-8-12(10-14-9-11)13(16)15-6-4-3-5-7-17-2/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeySSBNXUJLXDRSFU-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
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 N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide?
The IUPAC name of N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide (CID 114130968) is N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide is COCCCCCNC(=O)C1CNCC(C)C1.
What is the InChIKey of N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide?
The InChIKey is SSBNXUJLXDRSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11-8-12(10-14-9-11)13(16)15-6-4-3-5-7-17-2/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide?
N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide is sourced from PubChem (CID 114130968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).