oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine

C32H44N2O10 — CID 11949666

IUPACoxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.c1cc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C28H40N2O2.2C2H2O4/c1-3-17-29(18-4-1)21-7-23-31-27-13-9-25(10-14-27)26-11-15-28(16-12-26)32-24-8-22-30-19-5-2-6-20-30;2*3-1(4)2(5)6/h9-16H,1-8,17-24H2;2*(H,3,4)(H,5,6)
InChIKeyINIBYLNCYOURFM-UHFFFAOYSA-N
MW616.71 g/mol
LogP4.17
Rot. Bonds11

About oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine

oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine (PubChem CID 11949666) has the molecular formula C32H44N2O10 and a molecular weight of 616.71 g/mol. Its IUPAC name is oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine.

Molecular Properties

Compound Nameoxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
PubChem CID11949666
Molecular FormulaC32H44N2O10
Molecular Weight616.71 g/mol
Exact Mass616.30
IUPAC Nameoxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.c1cc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C28H40N2O2.2C2H2O4/c1-3-17-29(18-4-1)21-7-23-31-27-13-9-25(10-14-27)26-11-15-28(16-12-26)32-24-8-22-30-19-5-2-6-20-30;2*3-1(4)2(5)6/h9-16H,1-8,17-24H2;2*(H,3,4)(H,5,6)
InChIKeyINIBYLNCYOURFM-UHFFFAOYSA-N
XLogP4.17
TPSA174.14 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.71
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine 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

1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
(E)-3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]prop-2-enoic acid
CID 23150322
1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid
CID 146051025
oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
CID 23150757
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
oxalic acid;1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone
CID 2950389
oxalic acid;1-[5-(3-phenylphenoxy)pentyl]azepane
CID 155512264
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine
CID 2943786

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine?
The IUPAC name of oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine (CID 11949666) is oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine.
What is the SMILES notation for oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine?
The canonical SMILES for oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine is O=C(O)C(=O)O.O=C(O)C(=O)O.c1cc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1OCCCN1CCCCC1.
What is the InChIKey of oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine?
The InChIKey is INIBYLNCYOURFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O2.2C2H2O4/c1-3-17-29(18-4-1)21-7-23-31-27-13-9-25(10-14-27)26-11-15-28(16-12-26)32-24-8-22-30-19-5-2-6-20-30;2*3-1(4)2(5)6/h9-16H,1-8,17-24H2;2*(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine?
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine has a molecular weight of 616.71 g/mol, XLogP of 4.17, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine is sourced from PubChem (CID 11949666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).