2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one

C12H22N2O2 — CID 146627445

IUPAC2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one
SMILESO=C1CCON1CCCCC1CCNCC1
InChIInChI=1S/C12H22N2O2/c15-12-6-10-16-14(12)9-2-1-3-11-4-7-13-8-5-11/h11,13H,1-10H2
InChIKeyCQSVALRCEARFGB-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.32
Rot. Bonds5

About 2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one

2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one (PubChem CID 146627445) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one
PubChem CID146627445
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one
SMILESO=C1CCON1CCCCC1CCNCC1
InChIInChI=1S/C12H22N2O2/c15-12-6-10-16-14(12)9-2-1-3-11-4-7-13-8-5-11/h11,13H,1-10H2
InChIKeyCQSVALRCEARFGB-UHFFFAOYSA-N
XLogP1.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one?
The IUPAC name of 2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one (CID 146627445) is 2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one?
The canonical SMILES for 2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one is O=C1CCON1CCCCC1CCNCC1.
What is the InChIKey of 2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one?
The InChIKey is CQSVALRCEARFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12-6-10-16-14(12)9-2-1-3-11-4-7-13-8-5-11/h11,13H,1-10H2.
What are the key properties of 2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one?
2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one has a molecular weight of 226.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-4-ylbutyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 146627445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).