4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide

C26H34N2O4 — CID 60540539

IUPAC4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)c(C)c1
InChIInChI=1S/C26H34N2O4/c1-5-15-31-23-13-14-24(18(2)16-23)27-26(30)21-9-11-22(12-10-21)32-17-25(29)28-19(3)7-6-8-20(28)4/h9-14,16,19-20H,5-8,15,17H2,1-4H3,(H,27,30)
InChIKeyJOOUYNXCPKIYQS-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.20
Rot. Bonds8

About 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide

4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide (PubChem CID 60540539) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide
PubChem CID60540539
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)c(C)c1
InChIInChI=1S/C26H34N2O4/c1-5-15-31-23-13-14-24(18(2)16-23)27-26(30)21-9-11-22(12-10-21)32-17-25(29)28-19(3)7-6-8-20(28)4/h9-14,16,19-20H,5-8,15,17H2,1-4H3,(H,27,30)
InChIKeyJOOUYNXCPKIYQS-UHFFFAOYSA-N
XLogP5.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(4-methyl-2-propoxyphenyl)benzamide
CID 55901974
methyl 3-[[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoyl]amino]-4-methylbenzoate
CID 26198255
N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119421973
4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
CID 25352382
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 47016422
N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119569045
methyl 2-[[4-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]amino]benzoyl]amino]acetate
CID 55396774
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 55635303
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 24659652
4-butoxy-N-[4-[4-[(4-butoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4190773
N-(4-benzamido-3-methylphenyl)-4-propoxybenzamide
CID 2288044
N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 55378182

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide?
The IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide (CID 60540539) is 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide.
What is the SMILES notation for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide?
The canonical SMILES for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)c(C)c1.
What is the InChIKey of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide?
The InChIKey is JOOUYNXCPKIYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-5-15-31-23-13-14-24(18(2)16-23)27-26(30)21-9-11-22(12-10-21)32-17-25(29)28-19(3)7-6-8-20(28)4/h9-14,16,19-20H,5-8,15,17H2,1-4H3,(H,27,30).
What are the key properties of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide?
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide has a molecular weight of 438.57 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide is sourced from PubChem (CID 60540539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).