3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one

C19H29N3O2 — CID 86274343

IUPAC3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one
SMILESCCC1(CC)CC(CCN2CCN(c3ccccn3)CC2)OC1=O
InChIInChI=1S/C19H29N3O2/c1-3-19(4-2)15-16(24-18(19)23)8-10-21-11-13-22(14-12-21)17-7-5-6-9-20-17/h5-7,9,16H,3-4,8,10-15H2,1-2H3
InChIKeyBIAVCHCXYRKJMN-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.72
Rot. Bonds6

About 3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one

3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one (PubChem CID 86274343) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one
PubChem CID86274343
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one
SMILESCCC1(CC)CC(CCN2CCN(c3ccccn3)CC2)OC1=O
InChIInChI=1S/C19H29N3O2/c1-3-19(4-2)15-16(24-18(19)23)8-10-21-11-13-22(14-12-21)17-7-5-6-9-20-17/h5-7,9,16H,3-4,8,10-15H2,1-2H3
InChIKeyBIAVCHCXYRKJMN-UHFFFAOYSA-N
XLogP2.72
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one?
The IUPAC name of 3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one (CID 86274343) is 3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one.
What is the SMILES notation for 3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one?
The canonical SMILES for 3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one is CCC1(CC)CC(CCN2CCN(c3ccccn3)CC2)OC1=O.
What is the InChIKey of 3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one?
The InChIKey is BIAVCHCXYRKJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-19(4-2)15-16(24-18(19)23)8-10-21-11-13-22(14-12-21)17-7-5-6-9-20-17/h5-7,9,16H,3-4,8,10-15H2,1-2H3.
What are the key properties of 3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one?
3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one has a molecular weight of 331.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one is sourced from PubChem (CID 86274343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).