5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide

C26H43N3O3 — CID 5202151

IUPAC5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCCCCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCOC)c1
InChIInChI=1S/C26H43N3O3/c1-4-5-6-7-8-9-10-11-25(30)28-22-12-13-24(29-17-14-21(2)15-18-29)23(20-22)26(31)27-16-19-32-3/h12-13,20-21H,4-11,14-19H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyVMOFIEZJGMZOGR-UHFFFAOYSA-N
MW445.65 g/mol
LogP5.38
Rot. Bonds14

About 5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide

5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 5202151) has the molecular formula C26H43N3O3 and a molecular weight of 445.65 g/mol. Its IUPAC name is 5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID5202151
Molecular FormulaC26H43N3O3
Molecular Weight445.65 g/mol
Exact Mass445.33
IUPAC Name5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCCCCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCOC)c1
InChIInChI=1S/C26H43N3O3/c1-4-5-6-7-8-9-10-11-25(30)28-22-12-13-24(29-17-14-21(2)15-18-29)23(20-22)26(31)27-16-19-32-3/h12-13,20-21H,4-11,14-19H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyVMOFIEZJGMZOGR-UHFFFAOYSA-N
XLogP5.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3296405
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
CID 4693028
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
CID 4020156
5-(decanoylamino)-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4643650
N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide
CID 42757238
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5141483
5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3721229
5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3631176
5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 7230501
5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821
N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5037032

Frequently Asked Questions

What is the IUPAC name of 5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of 5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide (CID 5202151) is 5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide is CCCCCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCOC)c1.
What is the InChIKey of 5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is VMOFIEZJGMZOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O3/c1-4-5-6-7-8-9-10-11-25(30)28-22-12-13-24(29-17-14-21(2)15-18-29)23(20-22)26(31)27-16-19-32-3/h12-13,20-21H,4-11,14-19H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of 5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide?
5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 445.65 g/mol, XLogP of 5.38, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 5202151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).