5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid

C27H31NO3 — CID 174421641

IUPAC5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C27H31NO3/c29-27(30)8-4-1-5-20-9-13-23(14-10-20)25-15-16-28-18-26(25)31-19-21-11-12-22-6-2-3-7-24(22)17-21/h2-3,6-7,9-14,17,25-26,28H,1,4-5,8,15-16,18-19H2,(H,29,30)
InChIKeyDWLNKMRWILOIFH-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.30
Rot. Bonds9

About 5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid

5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid (PubChem CID 174421641) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid
PubChem CID174421641
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Name5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C27H31NO3/c29-27(30)8-4-1-5-20-9-13-23(14-10-20)25-15-16-28-18-26(25)31-19-21-11-12-22-6-2-3-7-24(22)17-21/h2-3,6-7,9-14,17,25-26,28H,1,4-5,8,15-16,18-19H2,(H,29,30)
InChIKeyDWLNKMRWILOIFH-UHFFFAOYSA-N
XLogP5.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]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

2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid
CID 22127042
3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine
CID 173295938
4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide
CID 22126678
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 100967467
[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
CID 70130180
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine
CID 100967460
4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 140989345
[(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate
CID 22127492
2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethyl 4-hydroxybenzoate
CID 22127458
4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl]benzamide
CID 22127716
1-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]-3-phenoxypropan-2-ol;2,2,2-trifluoroacetic acid
CID 22128680
methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate
CID 54453046

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid?
The IUPAC name of 5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid (CID 174421641) is 5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid.
What is the SMILES notation for 5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid?
The canonical SMILES for 5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid is O=C(O)CCCCc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid?
The InChIKey is DWLNKMRWILOIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3/c29-27(30)8-4-1-5-20-9-13-23(14-10-20)25-15-16-28-18-26(25)31-19-21-11-12-22-6-2-3-7-24(22)17-21/h2-3,6-7,9-14,17,25-26,28H,1,4-5,8,15-16,18-19H2,(H,29,30).
What are the key properties of 5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid?
5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid has a molecular weight of 417.55 g/mol, XLogP of 5.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid is sourced from PubChem (CID 174421641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).