2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide

C19H30N2O3 — CID 109388933

IUPAC2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCN(C(C)CNC(=O)C(C)Oc2cccc(CO)c2)CC1
InChIInChI=1S/C19H30N2O3/c1-14-7-9-21(10-8-14)15(2)12-20-19(23)16(3)24-18-6-4-5-17(11-18)13-22/h4-6,11,14-16,22H,7-10,12-13H2,1-3H3,(H,20,23)
InChIKeyJMRCKJFTRTVYML-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.18
Rot. Bonds7

About 2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide

2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 109388933) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide
PubChem CID109388933
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCN(C(C)CNC(=O)C(C)Oc2cccc(CO)c2)CC1
InChIInChI=1S/C19H30N2O3/c1-14-7-9-21(10-8-14)15(2)12-20-19(23)16(3)24-18-6-4-5-17(11-18)13-22/h4-6,11,14-16,22H,7-10,12-13H2,1-3H3,(H,20,23)
InChIKeyJMRCKJFTRTVYML-UHFFFAOYSA-N
XLogP2.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 109388906
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
(2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 51593101
(2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604391
N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388759
2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 109388973
2-[(3-methoxyphenyl)methoxy]-N-[2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 47036184
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111251246
2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide
CID 109388777
2-(dimethylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 110620673
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388806

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide (CID 109388933) is 2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide is CC1CCN(C(C)CNC(=O)C(C)Oc2cccc(CO)c2)CC1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is JMRCKJFTRTVYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14-7-9-21(10-8-14)15(2)12-20-19(23)16(3)24-18-6-4-5-17(11-18)13-22/h4-6,11,14-16,22H,7-10,12-13H2,1-3H3,(H,20,23).
What are the key properties of 2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide?
2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 334.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 109388933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).