[3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C15H24N2O4 — CID 4277356

IUPAC[3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC1CN(C(=O)C2CCCO2)CCN1C(=O)C1CCCO1
InChIInChI=1S/C15H24N2O4/c1-11-10-16(14(18)12-4-2-8-20-12)6-7-17(11)15(19)13-5-3-9-21-13/h11-13H,2-10H2,1H3
InChIKeyUEBBWVYZXXJFEZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.40
Rot. Bonds2

About [3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 4277356) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is [3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID4277356
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name[3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC1CN(C(=O)C2CCCO2)CCN1C(=O)C1CCCO1
InChIInChI=1S/C15H24N2O4/c1-11-10-16(14(18)12-4-2-8-20-12)6-7-17(11)15(19)13-5-3-9-21-13/h11-13H,2-10H2,1H3
InChIKeyUEBBWVYZXXJFEZ-UHFFFAOYSA-N
XLogP0.40
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 4277356) is [3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is CC1CN(C(=O)C2CCCO2)CCN1C(=O)C1CCCO1.
What is the InChIKey of [3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is UEBBWVYZXXJFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11-10-16(14(18)12-4-2-8-20-12)6-7-17(11)15(19)13-5-3-9-21-13/h11-13H,2-10H2,1H3.
What are the key properties of [3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 4277356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).