2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide

C17H25ClN2O3 — CID 111434042

IUPAC2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
SMILESCc1cc(OCC(=O)NCCCN2CCC(O)CC2)ccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-13-11-15(3-4-16(13)18)23-12-17(22)19-7-2-8-20-9-5-14(21)6-10-20/h3-4,11,14,21H,2,5-10,12H2,1H3,(H,19,22)
InChIKeyWLCCNAKOFHEQJQ-UHFFFAOYSA-N
MW340.85 g/mol
LogP1.99
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide (PubChem CID 111434042) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
PubChem CID111434042
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
SMILESCc1cc(OCC(=O)NCCCN2CCC(O)CC2)ccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-13-11-15(3-4-16(13)18)23-12-17(22)19-7-2-8-20-9-5-14(21)6-10-20/h3-4,11,14,21H,2,5-10,12H2,1H3,(H,19,22)
InChIKeyWLCCNAKOFHEQJQ-UHFFFAOYSA-N
XLogP1.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
CID 111429566
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-2-yloxyacetamide
CID 111429697
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
2-(4-chloro-3-methylphenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 55715629
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]butanoic acid
CID 43239214
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535909
2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide
CID 110027638
2-(4-chloro-3-methylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66262530
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
2-(3,4-dimethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 99702462

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide (CID 111434042) is 2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide is Cc1cc(OCC(=O)NCCCN2CCC(O)CC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide?
The InChIKey is WLCCNAKOFHEQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-13-11-15(3-4-16(13)18)23-12-17(22)19-7-2-8-20-9-5-14(21)6-10-20/h3-4,11,14,21H,2,5-10,12H2,1H3,(H,19,22).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide has a molecular weight of 340.85 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 111434042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).