[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone

C15H26N2O2 — CID 138010021

IUPAC[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)[C@]23CNC[C@H]2CCOC3)CC1
InChIInChI=1S/C15H26N2O2/c1-14(2)4-6-17(7-5-14)13(18)15-10-16-9-12(15)3-8-19-11-15/h12,16H,3-11H2,1-2H3/t12-,15+/m1/s1
InChIKeyLFVHNIZZFYKKDJ-DOMZBBRYSA-N
MW266.38 g/mol
LogP1.26
Rot. Bonds1

About [(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone

[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 138010021) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is [(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID138010021
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)[C@]23CNC[C@H]2CCOC3)CC1
InChIInChI=1S/C15H26N2O2/c1-14(2)4-6-17(7-5-14)13(18)15-10-16-9-12(15)3-8-19-11-15/h12,16H,3-11H2,1-2H3/t12-,15+/m1/s1
InChIKeyLFVHNIZZFYKKDJ-DOMZBBRYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone (CID 138010021) is [(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone is CC1(C)CCN(C(=O)[C@]23CNC[C@H]2CCOC3)CC1.
What is the InChIKey of [(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is LFVHNIZZFYKKDJ-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-14(2)4-6-17(7-5-14)13(18)15-10-16-9-12(15)3-8-19-11-15/h12,16H,3-11H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of [(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone?
[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 266.38 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 138010021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).