3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide

C24H40N2O2 — CID 142836852

IUPAC3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide
SMILESCCCCCCCC(O)CCN1CC[C@@](C)(c2cccc(C(N)=O)c2)[C@@H](C)C1
InChIInChI=1S/C24H40N2O2/c1-4-5-6-7-8-12-22(27)13-15-26-16-14-24(3,19(2)18-26)21-11-9-10-20(17-21)23(25)28/h9-11,17,19,22,27H,4-8,12-16,18H2,1-3H3,(H2,25,28)/t19-,22?,24+/m0/s1
InChIKeyCKJQXUVZLYBBSB-ITPZNCDISA-N
MW388.60 g/mol
LogP4.50
Rot. Bonds11

About 3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide

3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide (PubChem CID 142836852) has the molecular formula C24H40N2O2 and a molecular weight of 388.60 g/mol. Its IUPAC name is 3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide
PubChem CID142836852
Molecular FormulaC24H40N2O2
Molecular Weight388.60 g/mol
Exact Mass388.31
IUPAC Name3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide
SMILESCCCCCCCC(O)CCN1CC[C@@](C)(c2cccc(C(N)=O)c2)[C@@H](C)C1
InChIInChI=1S/C24H40N2O2/c1-4-5-6-7-8-12-22(27)13-15-26-16-14-24(3,19(2)18-26)21-11-9-10-20(17-21)23(25)28/h9-11,17,19,22,27H,4-8,12-16,18H2,1-3H3,(H2,25,28)/t19-,22?,24+/m0/s1
InChIKeyCKJQXUVZLYBBSB-ITPZNCDISA-N
XLogP4.50
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.60
LogP ≤ 54.50
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 3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide?
The IUPAC name of 3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide (CID 142836852) is 3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide.
What is the SMILES notation for 3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide?
The canonical SMILES for 3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide is CCCCCCCC(O)CCN1CC[C@@](C)(c2cccc(C(N)=O)c2)[C@@H](C)C1.
What is the InChIKey of 3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide?
The InChIKey is CKJQXUVZLYBBSB-ITPZNCDISA-N. The full InChI is InChI=1S/C24H40N2O2/c1-4-5-6-7-8-12-22(27)13-15-26-16-14-24(3,19(2)18-26)21-11-9-10-20(17-21)23(25)28/h9-11,17,19,22,27H,4-8,12-16,18H2,1-3H3,(H2,25,28)/t19-,22?,24+/m0/s1.
What are the key properties of 3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide?
3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide has a molecular weight of 388.60 g/mol, XLogP of 4.50, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide is sourced from PubChem (CID 142836852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).