3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide

C20H33N3O3 — CID 20567188

IUPAC3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
SMILESO=C(CCNCCO)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C20H33N3O3/c24-14-11-21-10-8-20(25)22-9-5-15-26-19-7-4-6-18(16-19)17-23-12-2-1-3-13-23/h4,6-7,16,21,24H,1-3,5,8-15,17H2,(H,22,25)
InChIKeyOIKYNHVMLKAGSC-UHFFFAOYSA-N
MW363.50 g/mol
LogP1.53
Rot. Bonds12

About 3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide

3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide (PubChem CID 20567188) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
PubChem CID20567188
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
SMILESO=C(CCNCCO)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C20H33N3O3/c24-14-11-21-10-8-20(25)22-9-5-15-26-19-7-4-6-18(16-19)17-23-12-2-1-3-13-23/h4,6-7,16,21,24H,1-3,5,8-15,17H2,(H,22,25)
InChIKeyOIKYNHVMLKAGSC-UHFFFAOYSA-N
XLogP1.53
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 86182371
N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide
CID 14792225
4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butan-2-one
CID 67876271
5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide
CID 15029681
2-methoxy-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 70559206
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
CID 5105
N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 12952125
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
CID 14514755
2-[(4-fluorophenyl)sulfonylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 45035731
2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 58756726
3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 139680048

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide?
The IUPAC name of 3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide (CID 20567188) is 3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide.
What is the SMILES notation for 3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide?
The canonical SMILES for 3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide is O=C(CCNCCO)NCCCOc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide?
The InChIKey is OIKYNHVMLKAGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c24-14-11-21-10-8-20(25)22-9-5-15-26-19-7-4-6-18(16-19)17-23-12-2-1-3-13-23/h4,6-7,16,21,24H,1-3,5,8-15,17H2,(H,22,25).
What are the key properties of 3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide?
3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide has a molecular weight of 363.50 g/mol, XLogP of 1.53, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide is sourced from PubChem (CID 20567188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).