N-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide

C31H36N2O2 — CID 59243658

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)C1COC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C31H36N2O2/c34-30(32-19-16-25-17-20-33(21-18-25)23-26-10-4-1-5-11-26)27-22-31(35-24-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-15,25,27H,16-24H2,(H,32,34)
InChIKeyCJPNPTALYQUSMQ-UHFFFAOYSA-N
MW468.64 g/mol
LogP5.39
Rot. Bonds8

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide (PubChem CID 59243658) has the molecular formula C31H36N2O2 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide
PubChem CID59243658
Molecular FormulaC31H36N2O2
Molecular Weight468.64 g/mol
Exact Mass468.28
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)C1COC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C31H36N2O2/c34-30(32-19-16-25-17-20-33(21-18-25)23-26-10-4-1-5-11-26)27-22-31(35-24-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-15,25,27H,16-24H2,(H,32,34)
InChIKeyCJPNPTALYQUSMQ-UHFFFAOYSA-N
XLogP5.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide (CID 59243658) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)C1COC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide?
The InChIKey is CJPNPTALYQUSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O2/c34-30(32-19-16-25-17-20-33(21-18-25)23-26-10-4-1-5-11-26)27-22-31(35-24-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-15,25,27H,16-24H2,(H,32,34).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide has a molecular weight of 468.64 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-5,5-diphenyloxolane-3-carboxamide is sourced from PubChem (CID 59243658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).