3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one

C15H29N3O2 — CID 66599201

IUPAC3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one
SMILESCCNCCCCCN1CCN(C2CCOC2=O)CC1
InChIInChI=1S/C15H29N3O2/c1-2-16-7-4-3-5-8-17-9-11-18(12-10-17)14-6-13-20-15(14)19/h14,16H,2-13H2,1H3
InChIKeySSVRWRVTOSVFSX-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.70
Rot. Bonds8

About 3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one

3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one (PubChem CID 66599201) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one
PubChem CID66599201
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one
SMILESCCNCCCCCN1CCN(C2CCOC2=O)CC1
InChIInChI=1S/C15H29N3O2/c1-2-16-7-4-3-5-8-17-9-11-18(12-10-17)14-6-13-20-15(14)19/h14,16H,2-13H2,1H3
InChIKeySSVRWRVTOSVFSX-UHFFFAOYSA-N
XLogP0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one?
The IUPAC name of 3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one (CID 66599201) is 3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one is CCNCCCCCN1CCN(C2CCOC2=O)CC1.
What is the InChIKey of 3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one?
The InChIKey is SSVRWRVTOSVFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-2-16-7-4-3-5-8-17-9-11-18(12-10-17)14-6-13-20-15(14)19/h14,16H,2-13H2,1H3.
What are the key properties of 3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one?
3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one has a molecular weight of 283.42 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(ethylamino)pentyl]piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 66599201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).