(3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one

C17H22N2O3 — CID 35136412

IUPAC(3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one
SMILESCCc1ccc(C(=O)N2CCN([C@H]3CCOC3=O)CC2)cc1
InChIInChI=1S/C17H22N2O3/c1-2-13-3-5-14(6-4-13)16(20)19-10-8-18(9-11-19)15-7-12-22-17(15)21/h3-6,15H,2,7-12H2,1H3/t15-/m0/s1
InChIKeyUUIGIQFNWVQRTR-HNNXBMFYSA-N
MW302.37 g/mol
LogP1.32
Rot. Bonds3

About (3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one

(3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one (PubChem CID 35136412) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one
PubChem CID35136412
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one
SMILESCCc1ccc(C(=O)N2CCN([C@H]3CCOC3=O)CC2)cc1
InChIInChI=1S/C17H22N2O3/c1-2-13-3-5-14(6-4-13)16(20)19-10-8-18(9-11-19)15-7-12-22-17(15)21/h3-6,15H,2,7-12H2,1H3/t15-/m0/s1
InChIKeyUUIGIQFNWVQRTR-HNNXBMFYSA-N
XLogP1.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one?
The IUPAC name of (3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one (CID 35136412) is (3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one?
The canonical SMILES for (3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one is CCc1ccc(C(=O)N2CCN([C@H]3CCOC3=O)CC2)cc1.
What is the InChIKey of (3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one?
The InChIKey is UUIGIQFNWVQRTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-13-3-5-14(6-4-13)16(20)19-10-8-18(9-11-19)15-7-12-22-17(15)21/h3-6,15H,2,7-12H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one?
(3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(4-ethylbenzoyl)piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 35136412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).