2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

C18H24N2O3 — CID 6471054

IUPAC2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C18H24N2O3/c1-14-4-6-15(7-5-14)13-17(21)19-8-10-20(11-9-19)18(22)16-3-2-12-23-16/h4-7,16H,2-3,8-13H2,1H3
InChIKeyIGSQSVDZBDKJFL-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.39
Rot. Bonds3

About 2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 6471054) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID6471054
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C18H24N2O3/c1-14-4-6-15(7-5-14)13-17(21)19-8-10-20(11-9-19)18(22)16-3-2-12-23-16/h4-7,16H,2-3,8-13H2,1H3
InChIKeyIGSQSVDZBDKJFL-UHFFFAOYSA-N
XLogP1.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (CID 6471054) is 2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is Cc1ccc(CC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is IGSQSVDZBDKJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-14-4-6-15(7-5-14)13-17(21)19-8-10-20(11-9-19)18(22)16-3-2-12-23-16/h4-7,16H,2-3,8-13H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 316.40 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 6471054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).