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

C15H29N3O2 — CID 114824137

IUPAC[4-(5-aminopentyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CCN(CCCCCN)CC2)CO1
InChIInChI=1S/C15H29N3O2/c1-13-11-14(12-20-13)15(19)18-9-7-17(8-10-18)6-4-2-3-5-16/h13-14H,2-12,16H2,1H3
InChIKeyBVHNHXVAZPLHBM-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.68
Rot. Bonds6

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

[4-(5-aminopentyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone (PubChem CID 114824137) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is [4-(5-aminopentyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-aminopentyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
PubChem CID114824137
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name[4-(5-aminopentyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CCN(CCCCCN)CC2)CO1
InChIInChI=1S/C15H29N3O2/c1-13-11-14(12-20-13)15(19)18-9-7-17(8-10-18)6-4-2-3-5-16/h13-14H,2-12,16H2,1H3
InChIKeyBVHNHXVAZPLHBM-UHFFFAOYSA-N
XLogP0.68
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [4-(5-aminopentyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone?
The IUPAC name of [4-(5-aminopentyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone (CID 114824137) is [4-(5-aminopentyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for [4-(5-aminopentyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for [4-(5-aminopentyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone is CC1CC(C(=O)N2CCN(CCCCCN)CC2)CO1.
What is the InChIKey of [4-(5-aminopentyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone?
The InChIKey is BVHNHXVAZPLHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-13-11-14(12-20-13)15(19)18-9-7-17(8-10-18)6-4-2-3-5-16/h13-14H,2-12,16H2,1H3.
What are the key properties of [4-(5-aminopentyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone?
[4-(5-aminopentyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone has a molecular weight of 283.42 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-aminopentyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114824137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).