3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide

C22H34N4O3 — CID 55658240

IUPAC3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCC(C(C)C)N2CCC(C)CC2)c1
InChIInChI=1S/C22H34N4O3/c1-14(2)21(26-8-6-15(3)7-9-26)13-23-22(29)18-10-19(24-16(4)27)12-20(11-18)25-17(5)28/h10-12,14-15,21H,6-9,13H2,1-5H3,(H,23,29)(H,24,27)(H,25,28)
InChIKeyOJJMNQYDFSEEAA-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.09
Rot. Bonds7

About 3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide

3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide (PubChem CID 55658240) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
PubChem CID55658240
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCC(C(C)C)N2CCC(C)CC2)c1
InChIInChI=1S/C22H34N4O3/c1-14(2)21(26-8-6-15(3)7-9-26)13-23-22(29)18-10-19(24-16(4)27)12-20(11-18)25-17(5)28/h10-12,14-15,21H,6-9,13H2,1-5H3,(H,23,29)(H,24,27)(H,25,28)
InChIKeyOJJMNQYDFSEEAA-UHFFFAOYSA-N
XLogP3.09
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
The IUPAC name of 3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide (CID 55658240) is 3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide.
What is the SMILES notation for 3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
The canonical SMILES for 3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCC(C(C)C)N2CCC(C)CC2)c1.
What is the InChIKey of 3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
The InChIKey is OJJMNQYDFSEEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-14(2)21(26-8-6-15(3)7-9-26)13-23-22(29)18-10-19(24-16(4)27)12-20(11-18)25-17(5)28/h10-12,14-15,21H,6-9,13H2,1-5H3,(H,23,29)(H,24,27)(H,25,28).
What are the key properties of 3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide has a molecular weight of 402.54 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide is sourced from PubChem (CID 55658240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).