2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one

C28H27NO2 — CID 10341464

IUPAC2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
SMILESO=C1C(c2ccccc2)=C(c2ccc(OCCN3CCCCC3)cc2)c2ccccc21
InChIInChI=1S/C28H27NO2/c30-28-25-12-6-5-11-24(25)26(27(28)21-9-3-1-4-10-21)22-13-15-23(16-14-22)31-20-19-29-17-7-2-8-18-29/h1,3-6,9-16H,2,7-8,17-20H2
InChIKeyXZSGNWKGYQCQEU-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.71
Rot. Bonds6

About 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one

2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one (PubChem CID 10341464) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one.

Molecular Properties

Compound Name2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
PubChem CID10341464
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
SMILESO=C1C(c2ccccc2)=C(c2ccc(OCCN3CCCCC3)cc2)c2ccccc21
InChIInChI=1S/C28H27NO2/c30-28-25-12-6-5-11-24(25)26(27(28)21-9-3-1-4-10-21)22-13-15-23(16-14-22)31-20-19-29-17-7-2-8-18-29/h1,3-6,9-16H,2,7-8,17-20H2
InChIKeyXZSGNWKGYQCQEU-UHFFFAOYSA-N
XLogP5.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
2-[4-[2-(azepan-1-yl)ethoxy]phenyl]isoindole-1,3-dione
CID 168516681
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
CID 51002326
5-(2-morpholin-4-ylethoxy)-3-phenyl-2-pyridin-4-ylinden-1-one
CID 51002189
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
5-(2-morpholin-4-ylethoxy)-3-phenyl-2-pyridin-3-ylinden-1-one
CID 51002145
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
3-phenyl-7-(2-piperidin-1-ylethoxy)-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one
CID 71817959

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one?
The IUPAC name of 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one (CID 10341464) is 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one.
What is the SMILES notation for 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one?
The canonical SMILES for 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one is O=C1C(c2ccccc2)=C(c2ccc(OCCN3CCCCC3)cc2)c2ccccc21.
What is the InChIKey of 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one?
The InChIKey is XZSGNWKGYQCQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c30-28-25-12-6-5-11-24(25)26(27(28)21-9-3-1-4-10-21)22-13-15-23(16-14-22)31-20-19-29-17-7-2-8-18-29/h1,3-6,9-16H,2,7-8,17-20H2.
What are the key properties of 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one?
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one has a molecular weight of 409.53 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one is sourced from PubChem (CID 10341464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).