5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide

C26H36N2O3 — CID 15029681

IUPAC5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide
SMILESO=C(CCCCc1ccc(O)cc1)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C26H36N2O3/c29-24-14-12-22(13-15-24)8-2-3-11-26(30)27-16-7-19-31-25-10-6-9-23(20-25)21-28-17-4-1-5-18-28/h6,9-10,12-15,20,29H,1-5,7-8,11,16-19,21H2,(H,27,30)
InChIKeyHELGWDUGNSYRTD-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.68
Rot. Bonds12

About 5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide

5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide (PubChem CID 15029681) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide
PubChem CID15029681
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Name5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide
SMILESO=C(CCCCc1ccc(O)cc1)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C26H36N2O3/c29-24-14-12-22(13-15-24)8-2-3-11-26(30)27-16-7-19-31-25-10-6-9-23(20-25)21-28-17-4-1-5-18-28/h6,9-10,12-15,20,29H,1-5,7-8,11,16-19,21H2,(H,27,30)
InChIKeyHELGWDUGNSYRTD-UHFFFAOYSA-N
XLogP4.68
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.68
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

3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 86182371
3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 20567188
2-methoxy-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 70559206
N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide
CID 14792225
[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
CID 5105
2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 58756726
N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 12952125
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
CID 14514755
3-(2-oxo-1H-quinolin-4-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 139680048
N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]-4-phenylbutanamide
CID 15179529
4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butan-2-one
CID 67876271

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide?
The IUPAC name of 5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide (CID 15029681) is 5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide.
What is the SMILES notation for 5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide?
The canonical SMILES for 5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide is O=C(CCCCc1ccc(O)cc1)NCCCOc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide?
The InChIKey is HELGWDUGNSYRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c29-24-14-12-22(13-15-24)8-2-3-11-26(30)27-16-7-19-31-25-10-6-9-23(20-25)21-28-17-4-1-5-18-28/h6,9-10,12-15,20,29H,1-5,7-8,11,16-19,21H2,(H,27,30).
What are the key properties of 5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide?
5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide has a molecular weight of 424.59 g/mol, XLogP of 4.68, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide is sourced from PubChem (CID 15029681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).