[(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone

C20H34N2O3 — CID 97366531

IUPAC[(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@H]2C[C@@H]3CCN(CC4CCOCC4)C[C@H]3O2)CC1
InChIInChI=1S/C20H34N2O3/c1-15-2-8-22(9-3-15)20(23)18-12-17-4-7-21(14-19(17)25-18)13-16-5-10-24-11-6-16/h15-19H,2-14H2,1H3/t17-,18+,19+/m0/s1
InChIKeyZUGPTNIVYPXXDB-IPMKNSEASA-N
MW350.50 g/mol
LogP2.15
Rot. Bonds3

About [(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone

[(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 97366531) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is [(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID97366531
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name[(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@H]2C[C@@H]3CCN(CC4CCOCC4)C[C@H]3O2)CC1
InChIInChI=1S/C20H34N2O3/c1-15-2-8-22(9-3-15)20(23)18-12-17-4-7-21(14-19(17)25-18)13-16-5-10-24-11-6-16/h15-19H,2-14H2,1H3/t17-,18+,19+/m0/s1
InChIKeyZUGPTNIVYPXXDB-IPMKNSEASA-N
XLogP2.15
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 97366531) is [(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)[C@H]2C[C@@H]3CCN(CC4CCOCC4)C[C@H]3O2)CC1.
What is the InChIKey of [(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ZUGPTNIVYPXXDB-IPMKNSEASA-N. The full InChI is InChI=1S/C20H34N2O3/c1-15-2-8-22(9-3-15)20(23)18-12-17-4-7-21(14-19(17)25-18)13-16-5-10-24-11-6-16/h15-19H,2-14H2,1H3/t17-,18+,19+/m0/s1.
What are the key properties of [(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone?
[(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 350.50 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,7aS)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 97366531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).