5-methyl-N-octyl-6-piperidin-1-ylhexanamide

C20H40N2O — CID 166830239

IUPAC5-methyl-N-octyl-6-piperidin-1-ylhexanamide
SMILESCCCCCCCCNC(=O)CCCC(C)CN1CCCCC1
InChIInChI=1S/C20H40N2O/c1-3-4-5-6-7-9-15-21-20(23)14-12-13-19(2)18-22-16-10-8-11-17-22/h19H,3-18H2,1-2H3,(H,21,23)
InChIKeyJVPQUIHIGWBEDO-UHFFFAOYSA-N
MW324.55 g/mol
LogP4.76
Rot. Bonds13

About 5-methyl-N-octyl-6-piperidin-1-ylhexanamide

5-methyl-N-octyl-6-piperidin-1-ylhexanamide (PubChem CID 166830239) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 5-methyl-N-octyl-6-piperidin-1-ylhexanamide.

Molecular Properties

Compound Name5-methyl-N-octyl-6-piperidin-1-ylhexanamide
PubChem CID166830239
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name5-methyl-N-octyl-6-piperidin-1-ylhexanamide
SMILESCCCCCCCCNC(=O)CCCC(C)CN1CCCCC1
InChIInChI=1S/C20H40N2O/c1-3-4-5-6-7-9-15-21-20(23)14-12-13-19(2)18-22-16-10-8-11-17-22/h19H,3-18H2,1-2H3,(H,21,23)
InChIKeyJVPQUIHIGWBEDO-UHFFFAOYSA-N
XLogP4.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-2-piperidin-1-ylacetamide
CID 3064220
N-hexyl-N'-(7-methyldecyl)pentanediamide
CID 167061111
N-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610
2-(azepan-1-yl)-N-pentylacetamide
CID 109006030
N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 61473930
N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide
CID 165361675
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
[(2S)-2-methyl-6-oxo-6-(tricosylamino)hexyl] acetate
CID 58668231
4-methyl-N-tridecylhexanamide
CID 89162842
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine
CID 55191409
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-octyl-6-piperidin-1-ylhexanamide?
The IUPAC name of 5-methyl-N-octyl-6-piperidin-1-ylhexanamide (CID 166830239) is 5-methyl-N-octyl-6-piperidin-1-ylhexanamide.
What is the SMILES notation for 5-methyl-N-octyl-6-piperidin-1-ylhexanamide?
The canonical SMILES for 5-methyl-N-octyl-6-piperidin-1-ylhexanamide is CCCCCCCCNC(=O)CCCC(C)CN1CCCCC1.
What is the InChIKey of 5-methyl-N-octyl-6-piperidin-1-ylhexanamide?
The InChIKey is JVPQUIHIGWBEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-3-4-5-6-7-9-15-21-20(23)14-12-13-19(2)18-22-16-10-8-11-17-22/h19H,3-18H2,1-2H3,(H,21,23).
What are the key properties of 5-methyl-N-octyl-6-piperidin-1-ylhexanamide?
5-methyl-N-octyl-6-piperidin-1-ylhexanamide has a molecular weight of 324.55 g/mol, XLogP of 4.76, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-octyl-6-piperidin-1-ylhexanamide is sourced from PubChem (CID 166830239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).