3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide

C16H27N3O3 — CID 111695342

IUPAC3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide
SMILESCN1CCN(CC(O)CN(C)C(=O)CCc2ccco2)CC1
InChIInChI=1S/C16H27N3O3/c1-17-7-9-19(10-8-17)13-14(20)12-18(2)16(21)6-5-15-4-3-11-22-15/h3-4,11,14,20H,5-10,12-13H2,1-2H3
InChIKeyMMKFLPBHGDDOPZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.28
Rot. Bonds7

About 3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide

3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide (PubChem CID 111695342) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide
PubChem CID111695342
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide
SMILESCN1CCN(CC(O)CN(C)C(=O)CCc2ccco2)CC1
InChIInChI=1S/C16H27N3O3/c1-17-7-9-19(10-8-17)13-14(20)12-18(2)16(21)6-5-15-4-3-11-22-15/h3-4,11,14,20H,5-10,12-13H2,1-2H3
InChIKeyMMKFLPBHGDDOPZ-UHFFFAOYSA-N
XLogP0.28
TPSA60.16 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 ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide (CID 111695342) is 3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide is CN1CCN(CC(O)CN(C)C(=O)CCc2ccco2)CC1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide?
The InChIKey is MMKFLPBHGDDOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-17-7-9-19(10-8-17)13-14(20)12-18(2)16(21)6-5-15-4-3-11-22-15/h3-4,11,14,20H,5-10,12-13H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide?
3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide has a molecular weight of 309.41 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide is sourced from PubChem (CID 111695342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).