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

C14H22N2O4 — CID 3620044

IUPAC[4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H22N2O4/c17-13(11-3-1-9-19-11)15-5-7-16(8-6-15)14(18)12-4-2-10-20-12/h11-12H,1-10H2
InChIKeyPDNVQJDNOKBJSF-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.02
Rot. Bonds2

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

[4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 3620044) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is [4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID3620044
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name[4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H22N2O4/c17-13(11-3-1-9-19-11)15-5-7-16(8-6-15)14(18)12-4-2-10-20-12/h11-12H,1-10H2
InChIKeyPDNVQJDNOKBJSF-UHFFFAOYSA-N
XLogP0.02
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 3620044) is [4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is PDNVQJDNOKBJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-13(11-3-1-9-19-11)15-5-7-16(8-6-15)14(18)12-4-2-10-20-12/h11-12H,1-10H2.
What are the key properties of [4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 282.34 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 3620044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).