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

C17H26N2O3 — CID 111429566

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C17H26N2O3/c1-14-3-5-16(6-4-14)22-13-17(21)18-9-2-10-19-11-7-15(20)8-12-19/h3-6,15,20H,2,7-13H2,1H3,(H,18,21)
InChIKeyFQVDLSCMXUXKDM-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.34
Rot. Bonds7

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

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide (PubChem CID 111429566) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
PubChem CID111429566
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C17H26N2O3/c1-14-3-5-16(6-4-14)22-13-17(21)18-9-2-10-19-11-7-15(20)8-12-19/h3-6,15,20H,2,7-13H2,1H3,(H,18,21)
InChIKeyFQVDLSCMXUXKDM-UHFFFAOYSA-N
XLogP1.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.34
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

2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111434042
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-2-yloxyacetamide
CID 111429697
2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
CID 111429477
2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39539907
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide
CID 111429498
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 111434012
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675
2-(2,5-dimethylphenyl)sulfanyl-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429425
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111276864
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide (CID 111429566) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCCCN2CCC(O)CC2)cc1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is FQVDLSCMXUXKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-14-3-5-16(6-4-14)22-13-17(21)18-9-2-10-19-11-7-15(20)8-12-19/h3-6,15,20H,2,7-13H2,1H3,(H,18,21).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 111429566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).