3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane

C27H46N4O2 — CID 143404297

IUPAC3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane
SMILESCC.CCCC(C)N1CCN(C(=O)CN2CCC(NC(=O)c3ccc(C)c(C)c3)CC2)CC1
InChIInChI=1S/C25H40N4O2.C2H6/c1-5-6-21(4)28-13-15-29(16-14-28)24(30)18-27-11-9-23(10-12-27)26-25(31)22-8-7-19(2)20(3)17-22;1-2/h7-8,17,21,23H,5-6,9-16,18H2,1-4H3,(H,26,31);1-2H3
InChIKeyNJPQLBJEEMAGCJ-UHFFFAOYSA-N
MW458.69 g/mol
LogP3.86
Rot. Bonds7

About 3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane

3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane (PubChem CID 143404297) has the molecular formula C27H46N4O2 and a molecular weight of 458.69 g/mol. Its IUPAC name is 3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane.

Molecular Properties

Compound Name3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane
PubChem CID143404297
Molecular FormulaC27H46N4O2
Molecular Weight458.69 g/mol
Exact Mass458.36
IUPAC Name3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane
SMILESCC.CCCC(C)N1CCN(C(=O)CN2CCC(NC(=O)c3ccc(C)c(C)c3)CC2)CC1
InChIInChI=1S/C25H40N4O2.C2H6/c1-5-6-21(4)28-13-15-29(16-14-28)24(30)18-27-11-9-23(10-12-27)26-25(31)22-8-7-19(2)20(3)17-22;1-2/h7-8,17,21,23H,5-6,9-16,18H2,1-4H3,(H,26,31);1-2H3
InChIKeyNJPQLBJEEMAGCJ-UHFFFAOYSA-N
XLogP3.86
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.69
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane with MolForge

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Related Compounds

N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103951674
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557565
3-fluoro-4-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39145303
N-[1-[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33105307
N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide
CID 18131571
N-(1-cyclopentylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 110752030
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557567
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane?
The IUPAC name of 3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane (CID 143404297) is 3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane.
What is the SMILES notation for 3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane?
The canonical SMILES for 3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane is CC.CCCC(C)N1CCN(C(=O)CN2CCC(NC(=O)c3ccc(C)c(C)c3)CC2)CC1.
What is the InChIKey of 3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane?
The InChIKey is NJPQLBJEEMAGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O2.C2H6/c1-5-6-21(4)28-13-15-29(16-14-28)24(30)18-27-11-9-23(10-12-27)26-25(31)22-8-7-19(2)20(3)17-22;1-2/h7-8,17,21,23H,5-6,9-16,18H2,1-4H3,(H,26,31);1-2H3.
What are the key properties of 3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane?
3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane has a molecular weight of 458.69 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane is sourced from PubChem (CID 143404297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).