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

C17H24N2O2 — CID 122688809

IUPAC(5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
SMILESCC1C[C@@H](CCN2CCN(c3ccccc3)CC2)OC1=O
InChIInChI=1S/C17H24N2O2/c1-14-13-16(21-17(14)20)7-8-18-9-11-19(12-10-18)15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3/t14?,16-/m1/s1
InChIKeyVXVGUJKCMBMLDK-BZSJEYESSA-N
MW288.39 g/mol
LogP2.15
Rot. Bonds4

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

(5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one (PubChem CID 122688809) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
PubChem CID122688809
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
SMILESCC1C[C@@H](CCN2CCN(c3ccccc3)CC2)OC1=O
InChIInChI=1S/C17H24N2O2/c1-14-13-16(21-17(14)20)7-8-18-9-11-19(12-10-18)15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3/t14?,16-/m1/s1
InChIKeyVXVGUJKCMBMLDK-BZSJEYESSA-N
XLogP2.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-phenylpiperazin-1-yl)ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 149302733
(3S)-8-methylsulfonyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 134535017
3,3-diethyl-5-[4-(4-phenylpiperazin-1-yl)butyl]oxolan-2-one
CID 162368702
3-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 15030077
1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine
CID 122688760
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine
CID 171355756
(5S)-3,3-diethyl-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxolan-2-one
CID 140837520
4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol
CID 122688746
5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 15030100
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
The IUPAC name of (5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one (CID 122688809) is (5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one.
What is the SMILES notation for (5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
The canonical SMILES for (5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one is CC1C[C@@H](CCN2CCN(c3ccccc3)CC2)OC1=O.
What is the InChIKey of (5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
The InChIKey is VXVGUJKCMBMLDK-BZSJEYESSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-14-13-16(21-17(14)20)7-8-18-9-11-19(12-10-18)15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3/t14?,16-/m1/s1.
What are the key properties of (5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
(5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one is sourced from PubChem (CID 122688809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).