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

C18H26N2O2 — CID 122695687

IUPAC(5S)-3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
SMILESCC1(C)C[C@@H](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/t16-/m1/s1
InChIKeyPHHGCTMEZLARAD-MRXNPFEDSA-N
MW302.42 g/mol
LogP2.54
Rot. Bonds4

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

(5S)-3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one (PubChem CID 122695687) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (5S)-3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
PubChem CID122695687
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(5S)-3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
SMILESCC1(C)C[C@@H](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/t16-/m1/s1
InChIKeyPHHGCTMEZLARAD-MRXNPFEDSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
The IUPAC name of (5S)-3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one (CID 122695687) is (5S)-3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one.
What is the SMILES notation for (5S)-3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
The canonical SMILES for (5S)-3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one is CC1(C)C[C@@H](CCN2CCN(c3ccccc3)CC2)OC1=O.
What is the InChIKey of (5S)-3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
The InChIKey is PHHGCTMEZLARAD-MRXNPFEDSA-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/t16-/m1/s1.
What are the key properties of (5S)-3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
(5S)-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 (5S)-3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one is sourced from PubChem (CID 122695687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).