N-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide

C24H33N3O3 — CID 18452714

IUPACN-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(C(O)CCN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C24H33N3O3/c1-18-5-4-6-19(2)24(18)25-23(29)17-27-15-13-26(14-16-27)12-11-22(28)20-7-9-21(30-3)10-8-20/h4-10,22,28H,11-17H2,1-3H3,(H,25,29)
InChIKeyKLBGGLRQUFWONN-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.99
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide (PubChem CID 18452714) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide
PubChem CID18452714
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(C(O)CCN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C24H33N3O3/c1-18-5-4-6-19(2)24(18)25-23(29)17-27-15-13-26(14-16-27)12-11-22(28)20-7-9-21(30-3)10-8-20/h4-10,22,28H,11-17H2,1-3H3,(H,25,29)
InChIKeyKLBGGLRQUFWONN-UHFFFAOYSA-N
XLogP2.99
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide
CID 12052935
N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide
CID 45281353
N-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-4-(3,4,5-trimethoxyphenyl)butyl]piperazin-1-yl]acetamide
CID 18452747
4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide
CID 41142998
2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9435760
2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021753
2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917553
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 10711251
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
ethyl (2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95099547
2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2200363

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide (CID 18452714) is N-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide is COc1ccc(C(O)CCN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide?
The InChIKey is KLBGGLRQUFWONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-18-5-4-6-19(2)24(18)25-23(29)17-27-15-13-26(14-16-27)12-11-22(28)20-7-9-21(30-3)10-8-20/h4-10,22,28H,11-17H2,1-3H3,(H,25,29).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide has a molecular weight of 411.55 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 18452714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).