3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide

C25H47N3O2 — CID 165007896

IUPAC3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide
SMILESCC1CCN(CCC(=O)CCCCCCCNC(=O)CCN2CCC(C)CC2)CC1
InChIInChI=1S/C25H47N3O2/c1-22-9-16-27(17-10-22)20-13-24(29)8-6-4-3-5-7-15-26-25(30)14-21-28-18-11-23(2)12-19-28/h22-23H,3-21H2,1-2H3,(H,26,30)
InChIKeyJGCCZJGLZFHCCM-UHFFFAOYSA-N
MW421.67 g/mol
LogP4.26
Rot. Bonds14

About 3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide

3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide (PubChem CID 165007896) has the molecular formula C25H47N3O2 and a molecular weight of 421.67 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide
PubChem CID165007896
Molecular FormulaC25H47N3O2
Molecular Weight421.67 g/mol
Exact Mass421.37
IUPAC Name3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide
SMILESCC1CCN(CCC(=O)CCCCCCCNC(=O)CCN2CCC(C)CC2)CC1
InChIInChI=1S/C25H47N3O2/c1-22-9-16-27(17-10-22)20-13-24(29)8-6-4-3-5-7-15-26-25(30)14-21-28-18-11-23(2)12-19-28/h22-23H,3-21H2,1-2H3,(H,26,30)
InChIKeyJGCCZJGLZFHCCM-UHFFFAOYSA-N
XLogP4.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.67
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179
3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide
CID 165060852
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide
CID 90442251
N-cyclopropyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109011725
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide
CID 90442249
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014538
N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide
CID 101463324
N-[3-(4-methylpiperidin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604980
N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012920
1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852388

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide (CID 165007896) is 3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide is CC1CCN(CCC(=O)CCCCCCCNC(=O)CCN2CCC(C)CC2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide?
The InChIKey is JGCCZJGLZFHCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47N3O2/c1-22-9-16-27(17-10-22)20-13-24(29)8-6-4-3-5-7-15-26-25(30)14-21-28-18-11-23(2)12-19-28/h22-23H,3-21H2,1-2H3,(H,26,30).
What are the key properties of 3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide?
3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide has a molecular weight of 421.67 g/mol, XLogP of 4.26, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide is sourced from PubChem (CID 165007896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).