4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(4-methoxyphenyl)propyl]benzamide

C26H34N2O4 — CID 55371723

IUPAC4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(4-methoxyphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(OCC(=O)N2C(C)CCCC2C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C26H34N2O4/c1-5-24(20-9-13-22(31-4)14-10-20)27-26(30)21-11-15-23(16-12-21)32-17-25(29)28-18(2)7-6-8-19(28)3/h9-16,18-19,24H,5-8,17H2,1-4H3,(H,27,30)
InChIKeyGBDCOZGTQKLBCP-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.74
Rot. Bonds8

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

4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(4-methoxyphenyl)propyl]benzamide (PubChem CID 55371723) 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-[1-(4-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(4-methoxyphenyl)propyl]benzamide
PubChem CID55371723
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(4-methoxyphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(OCC(=O)N2C(C)CCCC2C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C26H34N2O4/c1-5-24(20-9-13-22(31-4)14-10-20)27-26(30)21-11-15-23(16-12-21)32-17-25(29)28-18(2)7-6-8-19(28)3/h9-16,18-19,24H,5-8,17H2,1-4H3,(H,27,30)
InChIKeyGBDCOZGTQKLBCP-UHFFFAOYSA-N
XLogP4.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 120506249
1-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]amino]-3-propan-2-ylthiourea
CID 42910897
1-[[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoyl]amino]-3-propan-2-ylthiourea
CID 26839455
N-[1-(4-methoxyphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876464
N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119569045
4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
CID 25352382
N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 55378182
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
N-[1-(4-methoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 78625788
methyl 2-[[4-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]amino]benzoyl]amino]acetate
CID 55396774
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(4-methoxyphenyl)propyl]benzamide?
The IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(4-methoxyphenyl)propyl]benzamide (CID 55371723) is 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(4-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(4-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(4-methoxyphenyl)propyl]benzamide is CCC(NC(=O)c1ccc(OCC(=O)N2C(C)CCCC2C)cc1)c1ccc(OC)cc1.
What is the InChIKey of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(4-methoxyphenyl)propyl]benzamide?
The InChIKey is GBDCOZGTQKLBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-5-24(20-9-13-22(31-4)14-10-20)27-26(30)21-11-15-23(16-12-21)32-17-25(29)28-18(2)7-6-8-19(28)3/h9-16,18-19,24H,5-8,17H2,1-4H3,(H,27,30).
What are the key properties of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(4-methoxyphenyl)propyl]benzamide?
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(4-methoxyphenyl)propyl]benzamide has a molecular weight of 438.57 g/mol, XLogP of 4.74, 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-[1-(4-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 55371723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).