[2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C16H29N3O3 — CID 70332282

IUPAC[2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOCCNCC1CC=C(C(=O)N2CCN(C(C)C)CC2)O1
InChIInChI=1S/C16H29N3O3/c1-13(2)18-7-9-19(10-8-18)16(20)15-5-4-14(22-15)12-17-6-11-21-3/h5,13-14,17H,4,6-12H2,1-3H3
InChIKeyGGLALVPCPHJNRE-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.45
Rot. Bonds7

About [2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 70332282) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is [2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID70332282
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name[2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOCCNCC1CC=C(C(=O)N2CCN(C(C)C)CC2)O1
InChIInChI=1S/C16H29N3O3/c1-13(2)18-7-9-19(10-8-18)16(20)15-5-4-14(22-15)12-17-6-11-21-3/h5,13-14,17H,4,6-12H2,1-3H3
InChIKeyGGLALVPCPHJNRE-UHFFFAOYSA-N
XLogP0.45
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.45
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 [2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 70332282) is [2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is COCCNCC1CC=C(C(=O)N2CCN(C(C)C)CC2)O1.
What is the InChIKey of [2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is GGLALVPCPHJNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-13(2)18-7-9-19(10-8-18)16(20)15-5-4-14(22-15)12-17-6-11-21-3/h5,13-14,17H,4,6-12H2,1-3H3.
What are the key properties of [2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 311.43 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 70332282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).