N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide

C22H28N2O2 — CID 134038789

IUPACN-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCC(C(O)c3ccccc3)CC2)c1C
InChIInChI=1S/C22H28N2O2/c1-16-7-6-10-20(17(16)2)23-21(25)15-24-13-11-19(12-14-24)22(26)18-8-4-3-5-9-18/h3-10,19,22,26H,11-15H2,1-2H3,(H,23,25)
InChIKeyHZMVZHBKXGOFLX-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.69
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide (PubChem CID 134038789) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
PubChem CID134038789
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCC(C(O)c3ccccc3)CC2)c1C
InChIInChI=1S/C22H28N2O2/c1-16-7-6-10-20(17(16)2)23-21(25)15-24-13-11-19(12-14-24)22(26)18-8-4-3-5-9-18/h3-10,19,22,26H,11-15H2,1-2H3,(H,23,25)
InChIKeyHZMVZHBKXGOFLX-UHFFFAOYSA-N
XLogP3.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 55519862
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
2-cyclopropyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 136558089
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 42939544
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
N-(3-fluorophenyl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 33350694
N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898054
N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808
2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55702952
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(3-amino-2-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505272

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide (CID 134038789) is N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCC(C(O)c3ccccc3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?
The InChIKey is HZMVZHBKXGOFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-7-6-10-20(17(16)2)23-21(25)15-24-13-11-19(12-14-24)22(26)18-8-4-3-5-9-18/h3-10,19,22,26H,11-15H2,1-2H3,(H,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 134038789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).