(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate

C20H33NO6 — CID 71181576

IUPAC(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate
SMILESCCCCCCCC(=O)N1CCCCC1C(=O)OC1COC2C(O)COC12
InChIInChI=1S/C20H33NO6/c1-2-3-4-5-6-10-17(23)21-11-8-7-9-14(21)20(24)27-16-13-26-18-15(22)12-25-19(16)18/h14-16,18-19,22H,2-13H2,1H3
InChIKeyVPLLFAMYHXDWQE-UHFFFAOYSA-N
MW383.49 g/mol
LogP1.80
Rot. Bonds8

About (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate

(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate (PubChem CID 71181576) has the molecular formula C20H33NO6 and a molecular weight of 383.49 g/mol. Its IUPAC name is (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate.

Molecular Properties

Compound Name(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate
PubChem CID71181576
Molecular FormulaC20H33NO6
Molecular Weight383.49 g/mol
Exact Mass383.23
IUPAC Name(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate
SMILESCCCCCCCC(=O)N1CCCCC1C(=O)OC1COC2C(O)COC12
InChIInChI=1S/C20H33NO6/c1-2-3-4-5-6-10-17(23)21-11-8-7-9-14(21)20(24)27-16-13-26-18-15(22)12-25-19(16)18/h14-16,18-19,22H,2-13H2,1H3
InChIKeyVPLLFAMYHXDWQE-UHFFFAOYSA-N
XLogP1.80
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate with MolForge

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Related Compounds

(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
1-decanoylazepane-2-carboxylic acid
CID 64558604
methyl (2S)-1-hexadecanoylpyrrolidine-2-carboxylate
CID 129080008
ethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate
CID 176936995
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
CID 69288781
N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide
CID 23503497
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate
CID 177344572
(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide
CID 69288111
1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]octan-1-one
CID 79539770
CID 160598111
CID 160598111

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate?
The IUPAC name of (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate (CID 71181576) is (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate.
What is the SMILES notation for (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate?
The canonical SMILES for (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate is CCCCCCCC(=O)N1CCCCC1C(=O)OC1COC2C(O)COC12.
What is the InChIKey of (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate?
The InChIKey is VPLLFAMYHXDWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO6/c1-2-3-4-5-6-10-17(23)21-11-8-7-9-14(21)20(24)27-16-13-26-18-15(22)12-25-19(16)18/h14-16,18-19,22H,2-13H2,1H3.
What are the key properties of (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate?
(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate has a molecular weight of 383.49 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 1-octanoylpiperidine-2-carboxylate is sourced from PubChem (CID 71181576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).