[5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C16H27N3O3 — CID 11645244

IUPAC[5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOCCNCc1ccc(C(=O)N2CCN(C(C)C)CC2)o1
InChIInChI=1S/C16H27N3O3/c1-13(2)18-7-9-19(10-8-18)16(20)15-5-4-14(22-15)12-17-6-11-21-3/h4-5,13,17H,6-12H2,1-3H3
InChIKeyXVVLYXOLLHFURN-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.18
Rot. Bonds7

About [5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11645244) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is [5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11645244
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name[5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOCCNCc1ccc(C(=O)N2CCN(C(C)C)CC2)o1
InChIInChI=1S/C16H27N3O3/c1-13(2)18-7-9-19(10-8-18)16(20)15-5-4-14(22-15)12-17-6-11-21-3/h4-5,13,17H,6-12H2,1-3H3
InChIKeyXVVLYXOLLHFURN-UHFFFAOYSA-N
XLogP1.18
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11645244) is [5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is COCCNCc1ccc(C(=O)N2CCN(C(C)C)CC2)o1.
What is the InChIKey of [5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is XVVLYXOLLHFURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-13(2)18-7-9-19(10-8-18)16(20)15-5-4-14(22-15)12-17-6-11-21-3/h4-5,13,17H,6-12H2,1-3H3.
What are the key properties of [5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methoxyethylamino)methyl]furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11645244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).