1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide

C19H28N2O4 — CID 91778308

IUPAC1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide
SMILESCOC[C@@H]1[C@H](NC(=O)C2CCN(Cc3ccco3)CC2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C19H28N2O4/c1-23-12-16-17(15-6-10-25-18(15)16)20-19(22)13-4-7-21(8-5-13)11-14-3-2-9-24-14/h2-3,9,13,15-18H,4-8,10-12H2,1H3,(H,20,22)/t15-,16+,17+,18-/m0/s1
InChIKeyJNISBGXKRCYVQA-MLHJIOFPSA-N
MW348.44 g/mol
LogP1.66
Rot. Bonds6

About 1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide

1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide (PubChem CID 91778308) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide
PubChem CID91778308
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide
SMILESCOC[C@@H]1[C@H](NC(=O)C2CCN(Cc3ccco3)CC2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C19H28N2O4/c1-23-12-16-17(15-6-10-25-18(15)16)20-19(22)13-4-7-21(8-5-13)11-14-3-2-9-24-14/h2-3,9,13,15-18H,4-8,10-12H2,1H3,(H,20,22)/t15-,16+,17+,18-/m0/s1
InChIKeyJNISBGXKRCYVQA-MLHJIOFPSA-N
XLogP1.66
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 91761677
3-(azepan-1-ylmethyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91764167
1-(2-chloro-6-methylphenyl)-3-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 133268728
2-indol-1-yl-N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268436
3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 133265760
3-cyano-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91761164
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 91775679
N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenoxybenzamide
CID 133265551
4-[[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-4-oxobutanoic acid
CID 133268560
2-hydroxy-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylbenzamide
CID 91765257
2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid
CID 72862619
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzoxepine-4-carboxamide
CID 133267007

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide (CID 91778308) is 1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide is COC[C@@H]1[C@H](NC(=O)C2CCN(Cc3ccco3)CC2)[C@@H]2CCO[C@H]12.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide?
The InChIKey is JNISBGXKRCYVQA-MLHJIOFPSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-23-12-16-17(15-6-10-25-18(15)16)20-19(22)13-4-7-21(8-5-13)11-14-3-2-9-24-14/h2-3,9,13,15-18H,4-8,10-12H2,1H3,(H,20,22)/t15-,16+,17+,18-/m0/s1.
What are the key properties of 1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide?
1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91778308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).