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

C22H29N3O2 — CID 45281353

IUPACN-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c1-17-7-6-8-18(2)22(17)23-21(27)16-25-13-11-24(12-14-25)15-20(26)19-9-4-3-5-10-19/h3-10,20,26H,11-16H2,1-2H3,(H,23,27)
InChIKeyGWKSAVWABYTTNI-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.59
Rot. Bonds6

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

N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide (PubChem CID 45281353) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide
PubChem CID45281353
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c1-17-7-6-8-18(2)22(17)23-21(27)16-25-13-11-24(12-14-25)15-20(26)19-9-4-3-5-10-19/h3-10,20,26H,11-16H2,1-2H3,(H,23,27)
InChIKeyGWKSAVWABYTTNI-UHFFFAOYSA-N
XLogP2.59
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide
CID 142082035
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30627443
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 119952764
(2S)-N-benzhydryl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30955884
N-[(1R)-1-cyclopropylethyl]-2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetamide
CID 95333663
N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide
CID 78798955
N-(2,6-dimethylphenyl)-2-[4-[3-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide
CID 18452714
2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56538556
2-[4-[3-(1,3-benzothiazol-2-yloxy)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 12073485
N-(2,6-dimethylphenyl)-2-[4-[4-(2-fluorophenyl)-2-hydroxybutyl]piperazin-1-yl]acetamide
CID 10223491
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide (CID 45281353) is N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide is Cc1cccc(C)c1NC(=O)CN1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide?
The InChIKey is GWKSAVWABYTTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-7-6-8-18(2)22(17)23-21(27)16-25-13-11-24(12-14-25)15-20(26)19-9-4-3-5-10-19/h3-10,20,26H,11-16H2,1-2H3,(H,23,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 2.59, 6 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-2-phenylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 45281353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).