5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid

C26H39NO3 — CID 90178310

IUPAC5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid
SMILESO=C(O)CCCCN1CCCCC1c1ccc(OC2CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C26H39NO3/c28-25(29)8-2-6-20-27-19-5-1-7-24(27)21-9-11-22(12-10-21)30-23-13-17-26(18-14-23)15-3-4-16-26/h9-12,23-24H,1-8,13-20H2,(H,28,29)
InChIKeyQKDLOKTWIPFQRY-UHFFFAOYSA-N
MW413.60 g/mol
LogP6.35
Rot. Bonds8

About 5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid

5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid (PubChem CID 90178310) has the molecular formula C26H39NO3 and a molecular weight of 413.60 g/mol. Its IUPAC name is 5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid
PubChem CID90178310
Molecular FormulaC26H39NO3
Molecular Weight413.60 g/mol
Exact Mass413.29
IUPAC Name5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid
SMILESO=C(O)CCCCN1CCCCC1c1ccc(OC2CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C26H39NO3/c28-25(29)8-2-6-20-27-19-5-1-7-24(27)21-9-11-22(12-10-21)30-23-13-17-26(18-14-23)15-3-4-16-26/h9-12,23-24H,1-8,13-20H2,(H,28,29)
InChIKeyQKDLOKTWIPFQRY-UHFFFAOYSA-N
XLogP6.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.60
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 656592
CID 656592
CID 10407491
CID 10407491
CID 17962616
CID 17962616
CID 44577858
CID 44577858
CID 46872872
CID 46872872
CID 46872874
CID 46872874
CID 49836738
CID 49836738
CID 59451751
CID 59451751
CID 2838238
CID 2838238
CID 5188565
CID 5188565
CID 23724288
CID 23724288
CID 162652409
CID 162652409

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid?
The IUPAC name of 5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid (CID 90178310) is 5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid.
What is the SMILES notation for 5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid?
The canonical SMILES for 5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid is O=C(O)CCCCN1CCCCC1c1ccc(OC2CCC3(CCCC3)CC2)cc1.
What is the InChIKey of 5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid?
The InChIKey is QKDLOKTWIPFQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO3/c28-25(29)8-2-6-20-27-19-5-1-7-24(27)21-9-11-22(12-10-21)30-23-13-17-26(18-14-23)15-3-4-16-26/h9-12,23-24H,1-8,13-20H2,(H,28,29).
What are the key properties of 5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid?
5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid has a molecular weight of 413.60 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-spiro[4.5]decan-8-yloxyphenyl)piperidin-1-yl]pentanoic acid is sourced from PubChem (CID 90178310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).