[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone

C16H31N3O2 — CID 65151972

IUPAC[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC(CN)CN1CCN(C(=O)C2C(C)OC(C)C2C)CC1
InChIInChI=1S/C16H31N3O2/c1-11(9-17)10-18-5-7-19(8-6-18)16(20)15-12(2)13(3)21-14(15)4/h11-15H,5-10,17H2,1-4H3
InChIKeySOYQDWVTZRPSHZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.78
Rot. Bonds4

About [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone

[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 65151972) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID65151972
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC(CN)CN1CCN(C(=O)C2C(C)OC(C)C2C)CC1
InChIInChI=1S/C16H31N3O2/c1-11(9-17)10-18-5-7-19(8-6-18)16(20)15-12(2)13(3)21-14(15)4/h11-15H,5-10,17H2,1-4H3
InChIKeySOYQDWVTZRPSHZ-UHFFFAOYSA-N
XLogP0.78
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone (CID 65151972) is [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone is CC(CN)CN1CCN(C(=O)C2C(C)OC(C)C2C)CC1.
What is the InChIKey of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is SOYQDWVTZRPSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-11(9-17)10-18-5-7-19(8-6-18)16(20)15-12(2)13(3)21-14(15)4/h11-15H,5-10,17H2,1-4H3.
What are the key properties of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone?
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 297.44 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 65151972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).