[4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone

C14H26N2O3 — CID 113073396

IUPAC[4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone
SMILESCOCCCN1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C14H26N2O3/c1-18-10-2-5-15-6-8-16(9-7-15)14(17)13-3-11-19-12-4-13/h13H,2-12H2,1H3
InChIKeyQQUKVXYERXHAJX-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.59
Rot. Bonds5

About [4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone

[4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone (PubChem CID 113073396) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is [4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone
PubChem CID113073396
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name[4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone
SMILESCOCCCN1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C14H26N2O3/c1-18-10-2-5-15-6-8-16(9-7-15)14(17)13-3-11-19-12-4-13/h13H,2-12H2,1H3
InChIKeyQQUKVXYERXHAJX-UHFFFAOYSA-N
XLogP0.59
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.59
H-Bond Donors ≤ 50
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-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone (CID 113073396) is [4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone is COCCCN1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of [4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is QQUKVXYERXHAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-18-10-2-5-15-6-8-16(9-7-15)14(17)13-3-11-19-12-4-13/h13H,2-12H2,1H3.
What are the key properties of [4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone?
[4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 270.37 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 113073396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).