N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide

C18H26N2O2 — CID 10733166

IUPACN-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
SMILESCN(C(=O)CCCCC(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-19(16-10-4-2-5-11-16)17(21)12-6-7-13-18(22)20-14-8-3-9-15-20/h2,4-5,10-11H,3,6-9,12-15H2,1H3
InChIKeyNALGDMYWQLWXLI-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.22
Rot. Bonds6

About N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide

N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide (PubChem CID 10733166) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
PubChem CID10733166
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
SMILESCN(C(=O)CCCCC(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-19(16-10-4-2-5-11-16)17(21)12-6-7-13-18(22)20-14-8-3-9-15-20/h2,4-5,10-11H,3,6-9,12-15H2,1H3
InChIKeyNALGDMYWQLWXLI-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide?
The IUPAC name of N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide (CID 10733166) is N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide.
What is the SMILES notation for N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide?
The canonical SMILES for N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide is CN(C(=O)CCCCC(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide?
The InChIKey is NALGDMYWQLWXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-19(16-10-4-2-5-11-16)17(21)12-6-7-13-18(22)20-14-8-3-9-15-20/h2,4-5,10-11H,3,6-9,12-15H2,1H3.
What are the key properties of N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide?
N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide has a molecular weight of 302.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide is sourced from PubChem (CID 10733166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).