3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one

C22H25NO2 — CID 10042597

IUPAC3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one
SMILESO=C1OC(CN2CCCCC2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c24-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)16-20(25-21)17-23-14-8-3-9-15-23/h1-2,4-7,10-13,20H,3,8-9,14-17H2
InChIKeyWZMJBWBEEZNFQK-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.77
Rot. Bonds4

About 3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one

3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one (PubChem CID 10042597) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one.

Molecular Properties

Compound Name3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one
PubChem CID10042597
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one
SMILESO=C1OC(CN2CCCCC2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c24-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)16-20(25-21)17-23-14-8-3-9-15-23/h1-2,4-7,10-13,20H,3,8-9,14-17H2
InChIKeyWZMJBWBEEZNFQK-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one?
The IUPAC name of 3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one (CID 10042597) is 3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one.
What is the SMILES notation for 3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one?
The canonical SMILES for 3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one is O=C1OC(CN2CCCCC2)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one?
The InChIKey is WZMJBWBEEZNFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c24-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)16-20(25-21)17-23-14-8-3-9-15-23/h1-2,4-7,10-13,20H,3,8-9,14-17H2.
What are the key properties of 3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one?
3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one has a molecular weight of 335.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one is sourced from PubChem (CID 10042597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).