6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide

C16H33N3O2 — CID 102966457

IUPAC6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide
SMILESCCCNC(C)(CCCCN1CCCC(OC)C1)C(N)=O
InChIInChI=1S/C16H33N3O2/c1-4-10-18-16(2,15(17)20)9-5-6-11-19-12-7-8-14(13-19)21-3/h14,18H,4-13H2,1-3H3,(H2,17,20)
InChIKeyFYRTWQQDSVANKK-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.51
Rot. Bonds10

About 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide

6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide (PubChem CID 102966457) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide.

Molecular Properties

Compound Name6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide
PubChem CID102966457
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide
SMILESCCCNC(C)(CCCCN1CCCC(OC)C1)C(N)=O
InChIInChI=1S/C16H33N3O2/c1-4-10-18-16(2,15(17)20)9-5-6-11-19-12-7-8-14(13-19)21-3/h14,18H,4-13H2,1-3H3,(H2,17,20)
InChIKeyFYRTWQQDSVANKK-UHFFFAOYSA-N
XLogP1.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide
CID 106588668
2-(cyclopropylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentanamide
CID 102966587
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 102968939
methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate
CID 102966583
5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 63635938
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
CID 102966479
2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide
CID 62974573
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 102968930
5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 102966510
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 106588666
ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate
CID 103538059
4-(3-methoxypiperidin-1-yl)butanehydrazide
CID 102968724

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide?
The IUPAC name of 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide (CID 102966457) is 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide.
What is the SMILES notation for 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide?
The canonical SMILES for 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide is CCCNC(C)(CCCCN1CCCC(OC)C1)C(N)=O.
What is the InChIKey of 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide?
The InChIKey is FYRTWQQDSVANKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-4-10-18-16(2,15(17)20)9-5-6-11-19-12-7-8-14(13-19)21-3/h14,18H,4-13H2,1-3H3,(H2,17,20).
What are the key properties of 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide?
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide has a molecular weight of 299.46 g/mol, XLogP of 1.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide is sourced from PubChem (CID 102966457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).