[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone

C16H30N2O2 — CID 82249438

IUPAC[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(C)CC1CN(C(=O)C2CCCO2)C(C(C)C)CN1
InChIInChI=1S/C16H30N2O2/c1-11(2)8-13-10-18(14(9-17-13)12(3)4)16(19)15-6-5-7-20-15/h11-15,17H,5-10H2,1-4H3
InChIKeySEHMHAYKUWOYJR-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.04
Rot. Bonds4

About [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone

[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 82249438) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID82249438
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(C)CC1CN(C(=O)C2CCCO2)C(C(C)C)CN1
InChIInChI=1S/C16H30N2O2/c1-11(2)8-13-10-18(14(9-17-13)12(3)4)16(19)15-6-5-7-20-15/h11-15,17H,5-10H2,1-4H3
InChIKeySEHMHAYKUWOYJR-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 82249438) is [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone is CC(C)CC1CN(C(=O)C2CCCO2)C(C(C)C)CN1.
What is the InChIKey of [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is SEHMHAYKUWOYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11(2)8-13-10-18(14(9-17-13)12(3)4)16(19)15-6-5-7-20-15/h11-15,17H,5-10H2,1-4H3.
What are the key properties of [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 282.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 82249438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).