phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone

C28H28N2O — CID 173457888

IUPACphenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone
SMILESO=C(c1ccccc1)n1cc(CCN2CCC(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C28H28N2O/c31-28(24-11-5-2-6-12-24)30-21-25(26-13-7-8-14-27(26)30)17-20-29-18-15-23(16-19-29)22-9-3-1-4-10-22/h1-14,21,23H,15-20H2
InChIKeyGJCUCFLALLEMHY-UHFFFAOYSA-N
MW408.55 g/mol
LogP5.75
Rot. Bonds5

About phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone

phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone (PubChem CID 173457888) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol. Its IUPAC name is phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone
PubChem CID173457888
Molecular FormulaC28H28N2O
Molecular Weight408.55 g/mol
Exact Mass408.22
IUPAC Namephenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone
SMILESO=C(c1ccccc1)n1cc(CCN2CCC(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C28H28N2O/c31-28(24-11-5-2-6-12-24)30-21-25(26-13-7-8-14-27(26)30)17-20-29-18-15-23(16-19-29)22-9-3-1-4-10-22/h1-14,21,23H,15-20H2
InChIKeyGJCUCFLALLEMHY-UHFFFAOYSA-N
XLogP5.75
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]indol-1-yl]-(4-methylphenyl)methanone
CID 1477637
1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole
CID 70547247
[3-(bromomethyl)indol-1-yl]-phenylmethanone
CID 14948482
[3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride
CID 12504715
phenyl-[3-[1-(2-phenylethyl)piperidin-4-yl]indazol-1-yl]methanone;hydrochloride
CID 14032620
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
4-phenyl-1-(2-phenylethyl)piperidine;propanamide
CID 175431355
1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole
CID 162743380
4-[2-(4-phenylpiperidin-1-yl)ethyl]phenol
CID 14819324
4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine
CID 141379171
(Z)-but-2-enedioic acid;4-phenyl-1-(4-phenylbutyl)piperidine
CID 11682970
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone?
The IUPAC name of phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone (CID 173457888) is phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone.
What is the SMILES notation for phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone?
The canonical SMILES for phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone is O=C(c1ccccc1)n1cc(CCN2CCC(c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone?
The InChIKey is GJCUCFLALLEMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O/c31-28(24-11-5-2-6-12-24)30-21-25(26-13-7-8-14-27(26)30)17-20-29-18-15-23(16-19-29)22-9-3-1-4-10-22/h1-14,21,23H,15-20H2.
What are the key properties of phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone?
phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone has a molecular weight of 408.55 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone is sourced from PubChem (CID 173457888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).