(2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate

C28H31NO2 — CID 57403094

IUPAC(2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate
SMILESO=C(OCc1ccccc1-c1ccccc1)C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C28H31NO2/c30-28(31-22-26-16-7-8-18-27(26)24-14-5-2-6-15-24)25-17-10-20-29(21-25)19-9-13-23-11-3-1-4-12-23/h1-8,11-12,14-16,18,25H,9-10,13,17,19-22H2
InChIKeyMLDXCOMMNMHOQL-UHFFFAOYSA-N
MW413.56 g/mol
LogP5.74
Rot. Bonds8

About (2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate

(2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate (PubChem CID 57403094) has the molecular formula C28H31NO2 and a molecular weight of 413.56 g/mol. Its IUPAC name is (2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name(2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate
PubChem CID57403094
Molecular FormulaC28H31NO2
Molecular Weight413.56 g/mol
Exact Mass413.24
IUPAC Name(2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate
SMILESO=C(OCc1ccccc1-c1ccccc1)C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C28H31NO2/c30-28(31-22-26-16-7-8-18-27(26)24-14-5-2-6-15-24)25-17-10-20-29(21-25)19-9-13-23-11-3-1-4-12-23/h1-8,11-12,14-16,18,25H,9-10,13,17,19-22H2
InChIKeyMLDXCOMMNMHOQL-UHFFFAOYSA-N
XLogP5.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate?
The IUPAC name of (2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate (CID 57403094) is (2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate.
What is the SMILES notation for (2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate?
The canonical SMILES for (2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate is O=C(OCc1ccccc1-c1ccccc1)C1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of (2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate?
The InChIKey is MLDXCOMMNMHOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO2/c30-28(31-22-26-16-7-8-18-27(26)24-14-5-2-6-15-24)25-17-10-20-29(21-25)19-9-13-23-11-3-1-4-12-23/h1-8,11-12,14-16,18,25H,9-10,13,17,19-22H2.
What are the key properties of (2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate?
(2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate has a molecular weight of 413.56 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl)methyl 1-(3-phenylpropyl)piperidine-3-carboxylate is sourced from PubChem (CID 57403094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).