N-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide

C25H32N2O2 — CID 16756405

IUPACN-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C25H32N2O2/c1-18-9-10-23(16-19(18)2)25(29)8-5-13-27-14-11-21(12-15-27)22-6-4-7-24(17-22)26-20(3)28/h4,6-7,9-10,16-17,21H,5,8,11-15H2,1-3H3,(H,26,28)
InChIKeyZGGXNCTZASWEAU-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.10
Rot. Bonds7

About N-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 16756405) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
PubChem CID16756405
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C25H32N2O2/c1-18-9-10-23(16-19(18)2)25(29)8-5-13-27-14-11-21(12-15-27)22-6-4-7-24(17-22)26-20(3)28/h4,6-7,9-10,16-17,21H,5,8,11-15H2,1-3H3,(H,26,28)
InChIKeyZGGXNCTZASWEAU-UHFFFAOYSA-N
XLogP5.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide (CID 16756405) is N-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(C)c(C)c3)CC2)c1.
What is the InChIKey of N-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is ZGGXNCTZASWEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-18-9-10-23(16-19(18)2)25(29)8-5-13-27-14-11-21(12-15-27)22-6-4-7-24(17-22)26-20(3)28/h4,6-7,9-10,16-17,21H,5,8,11-15H2,1-3H3,(H,26,28).
What are the key properties of N-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 392.54 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 16756405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).