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

C18H28N2O3 — CID 111429477

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C18H28N2O3/c1-14-4-6-17(7-5-14)23-15(2)18(22)19-10-3-11-20-12-8-16(21)9-13-20/h4-7,15-16,21H,3,8-13H2,1-2H3,(H,19,22)
InChIKeyVZBJZLKFMLTZNV-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.73
Rot. Bonds7

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

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide (PubChem CID 111429477) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
PubChem CID111429477
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C18H28N2O3/c1-14-4-6-17(7-5-14)23-15(2)18(22)19-10-3-11-20-12-8-16(21)9-13-20/h4-7,15-16,21H,3,8-13H2,1-2H3,(H,19,22)
InChIKeyVZBJZLKFMLTZNV-UHFFFAOYSA-N
XLogP1.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.73
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
2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51163883
(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27211856
2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 132651642
N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 55628607
(2S)-2-(3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 99972774
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide
CID 111429498
2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
CID 51176280
4-[2-(4-methylphenoxy)propanoylamino]butanamide
CID 56812745
N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119407044
(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95706385

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide (CID 111429477) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)NCCCN2CCC(O)CC2)cc1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is VZBJZLKFMLTZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14-4-6-17(7-5-14)23-15(2)18(22)19-10-3-11-20-12-8-16(21)9-13-20/h4-7,15-16,21H,3,8-13H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 320.43 g/mol, XLogP of 1.73, 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)propanamide is sourced from PubChem (CID 111429477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).