[4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone

C13H25N3O2 — CID 114824162

IUPAC[4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CCN(C(C)CN)CC2)CO1
InChIInChI=1S/C13H25N3O2/c1-10(8-14)15-3-5-16(6-4-15)13(17)12-7-11(2)18-9-12/h10-12H,3-9,14H2,1-2H3
InChIKeyMNJUNXHHZLKHOR-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.10
Rot. Bonds3

About [4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone

[4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone (PubChem CID 114824162) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
PubChem CID114824162
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CCN(C(C)CN)CC2)CO1
InChIInChI=1S/C13H25N3O2/c1-10(8-14)15-3-5-16(6-4-15)13(17)12-7-11(2)18-9-12/h10-12H,3-9,14H2,1-2H3
InChIKeyMNJUNXHHZLKHOR-UHFFFAOYSA-N
XLogP-0.10
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone?
The IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone (CID 114824162) is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone is CC1CC(C(=O)N2CCN(C(C)CN)CC2)CO1.
What is the InChIKey of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone?
The InChIKey is MNJUNXHHZLKHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(8-14)15-3-5-16(6-4-15)13(17)12-7-11(2)18-9-12/h10-12H,3-9,14H2,1-2H3.
What are the key properties of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone?
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone has a molecular weight of 255.36 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114824162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).