N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide

C25H35N3O2 — CID 142082035

IUPACN-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide
SMILESCc1ccccc1CCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C25H35N3O2/c1-19-7-4-5-10-22(19)11-12-23(29)17-27-13-15-28(16-14-27)18-24(30)26-25-20(2)8-6-9-21(25)3/h4-10,23,29H,11-18H2,1-3H3,(H,26,30)
InChIKeyPAEPQXKQPRRCDF-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.16
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide (PubChem CID 142082035) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide
PubChem CID142082035
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide
SMILESCc1ccccc1CCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C25H35N3O2/c1-19-7-4-5-10-22(19)11-12-23(29)17-27-13-15-28(16-14-27)18-24(30)26-25-20(2)8-6-9-21(25)3/h4-10,23,29H,11-18H2,1-3H3,(H,26,30)
InChIKeyPAEPQXKQPRRCDF-UHFFFAOYSA-N
XLogP3.16
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[4-(2-fluorophenyl)-2-hydroxybutyl]piperazin-1-yl]acetamide
CID 10223491
N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide
CID 45281353
2-[4-[4-(4-tert-butylphenoxy)-2-hydroxybutyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 23449867
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperazin-1-yl]acetamide;molecular hydrogen
CID 162137892
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748
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-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]acetamide
CID 25160824
N-(2,6-dimethylphenyl)-2-[4-[5-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]-2-hydroxypentyl]piperazin-1-yl]acetamide
CID 142082057
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
2-[4-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 39951217
2-[4-[3-(1,3-benzothiazol-2-yloxy)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 12073485
2,3-dihydroxybutanedioic acid;N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 45280732

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide (CID 142082035) is N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide is Cc1ccccc1CCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide?
The InChIKey is PAEPQXKQPRRCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-19-7-4-5-10-22(19)11-12-23(29)17-27-13-15-28(16-14-27)18-24(30)26-25-20(2)8-6-9-21(25)3/h4-10,23,29H,11-18H2,1-3H3,(H,26,30).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide has a molecular weight of 409.57 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 142082035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).