2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide

C17H31N3O4 — CID 162792885

IUPAC2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CC2OC(CNC3CCNCC3)C(O)C2O1
InChIInChI=1S/C17H31N3O4/c1-10(2)20-15(21)8-12-7-13-17(23-12)16(22)14(24-13)9-19-11-3-5-18-6-4-11/h10-14,16-19,22H,3-9H2,1-2H3,(H,20,21)
InChIKeyJJSJRQDQWBUUQF-UHFFFAOYSA-N
MW341.45 g/mol
LogP-0.47
Rot. Bonds6

About 2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide

2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide (PubChem CID 162792885) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
PubChem CID162792885
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Name2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CC2OC(CNC3CCNCC3)C(O)C2O1
InChIInChI=1S/C17H31N3O4/c1-10(2)20-15(21)8-12-7-13-17(23-12)16(22)14(24-13)9-19-11-3-5-18-6-4-11/h10-14,16-19,22H,3-9H2,1-2H3,(H,20,21)
InChIKeyJJSJRQDQWBUUQF-UHFFFAOYSA-N
XLogP-0.47
TPSA91.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide (CID 162792885) is 2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CC1CC2OC(CNC3CCNCC3)C(O)C2O1.
What is the InChIKey of 2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
The InChIKey is JJSJRQDQWBUUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-10(2)20-15(21)8-12-7-13-17(23-12)16(22)14(24-13)9-19-11-3-5-18-6-4-11/h10-14,16-19,22H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide has a molecular weight of 341.45 g/mol, XLogP of -0.47, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-hydroxy-5-[(piperidin-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 162792885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).