[5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C17H27N3O3 — CID 11602209

IUPAC[5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(CN3CCOCC3)o2)CC1
InChIInChI=1S/C17H27N3O3/c1-14(2)19-5-7-20(8-6-19)17(21)16-4-3-15(23-16)13-18-9-11-22-12-10-18/h3-4,14H,5-13H2,1-2H3
InChIKeyRXUVGNWAJYJGDA-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.28
Rot. Bonds4

About [5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11602209) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is [5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11602209
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name[5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(CN3CCOCC3)o2)CC1
InChIInChI=1S/C17H27N3O3/c1-14(2)19-5-7-20(8-6-19)17(21)16-4-3-15(23-16)13-18-9-11-22-12-10-18/h3-4,14H,5-13H2,1-2H3
InChIKeyRXUVGNWAJYJGDA-UHFFFAOYSA-N
XLogP1.28
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11602209) is [5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(CN3CCOCC3)o2)CC1.
What is the InChIKey of [5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is RXUVGNWAJYJGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-14(2)19-5-7-20(8-6-19)17(21)16-4-3-15(23-16)13-18-9-11-22-12-10-18/h3-4,14H,5-13H2,1-2H3.
What are the key properties of [5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(morpholin-4-ylmethyl)furan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11602209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).