3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one

C18H26N2O2 — CID 118947085

IUPAC3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
SMILESCC1(C)CC(CCN2CCN(c3ccccc3)CC2)OC1=O
InChIInChI=1S/C18H26N2O2/c1-18(2)14-16(22-17(18)21)8-9-19-10-12-20(13-11-19)15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3
InChIKeyPHHGCTMEZLARAD-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.54
Rot. Bonds4

About 3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one

3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one (PubChem CID 118947085) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
PubChem CID118947085
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
SMILESCC1(C)CC(CCN2CCN(c3ccccc3)CC2)OC1=O
InChIInChI=1S/C18H26N2O2/c1-18(2)14-16(22-17(18)21)8-9-19-10-12-20(13-11-19)15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3
InChIKeyPHHGCTMEZLARAD-UHFFFAOYSA-N
XLogP2.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
The IUPAC name of 3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one (CID 118947085) is 3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one.
What is the SMILES notation for 3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
The canonical SMILES for 3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one is CC1(C)CC(CCN2CCN(c3ccccc3)CC2)OC1=O.
What is the InChIKey of 3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
The InChIKey is PHHGCTMEZLARAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2)14-16(22-17(18)21)8-9-19-10-12-20(13-11-19)15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one is sourced from PubChem (CID 118947085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).