N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide

C18H28N2O2 — CID 111333425

IUPACN-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
SMILESCCC(O)C1CCCCN1CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H28N2O2/c1-4-17(21)16-7-5-6-10-20(16)12-18(22)19-15-11-13(2)8-9-14(15)3/h8-9,11,16-17,21H,4-7,10,12H2,1-3H3,(H,19,22)
InChIKeyMHVVOJWXFMTVLI-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.87
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide

N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide (PubChem CID 111333425) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
PubChem CID111333425
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
SMILESCCC(O)C1CCCCN1CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H28N2O2/c1-4-17(21)16-7-5-6-10-20(16)12-18(22)19-15-11-13(2)8-9-14(15)3/h8-9,11,16-17,21H,4-7,10,12H2,1-3H3,(H,19,22)
InChIKeyMHVVOJWXFMTVLI-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111107012
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 63255724
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111333324
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63255859
N-(2,4-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583301
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111461999
N-cyclohexyl-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111333494
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785701
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide
CID 111333468
N-(5-amino-2-methylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406897

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide (CID 111333425) is N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide is CCC(O)C1CCCCN1CC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide?
The InChIKey is MHVVOJWXFMTVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-17(21)16-7-5-6-10-20(16)12-18(22)19-15-11-13(2)8-9-14(15)3/h8-9,11,16-17,21H,4-7,10,12H2,1-3H3,(H,19,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 111333425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).