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

C14H24N2O2 — CID 138014882

IUPAC[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@]23CNC[C@H]2CCOC3)CC1
InChIInChI=1S/C14H24N2O2/c1-11-2-5-16(6-3-11)13(17)14-9-15-8-12(14)4-7-18-10-14/h11-12,15H,2-10H2,1H3/t12-,14+/m1/s1
InChIKeyHPWWOZDJZNYYDI-OCCSQVGLSA-N
MW252.36 g/mol
LogP0.87
Rot. Bonds1

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

[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 138014882) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is [(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4-methylpiperidin-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-methylpiperidin-1-yl)methanone
PubChem CID138014882
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@]23CNC[C@H]2CCOC3)CC1
InChIInChI=1S/C14H24N2O2/c1-11-2-5-16(6-3-11)13(17)14-9-15-8-12(14)4-7-18-10-14/h11-12,15H,2-10H2,1H3/t12-,14+/m1/s1
InChIKeyHPWWOZDJZNYYDI-OCCSQVGLSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.87
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-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 138014909
[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(7-azaspiro[3.5]nonan-7-yl)methanone
CID 138010805
[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 138010644
(3aS,7aS)-N-propyl-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138014885
(3aS,7aS)-N-[2-(methylamino)ethyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 154844880
(3-aminooxolan-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 64891679
(3aS,7aS)-N-(2,2,2-trifluoroethyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 167785947
(3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138010042
(3aS,7aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138011244
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
(3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 154807805
(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 115293431

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-methylpiperidin-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-methylpiperidin-1-yl)methanone (CID 138014882) is [(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4-methylpiperidin-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-methylpiperidin-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-methylpiperidin-1-yl)methanone is CC1CCN(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-methylpiperidin-1-yl)methanone?
The InChIKey is HPWWOZDJZNYYDI-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11-2-5-16(6-3-11)13(17)14-9-15-8-12(14)4-7-18-10-14/h11-12,15H,2-10H2,1H3/t12-,14+/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-methylpiperidin-1-yl)methanone?
[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 0.87, 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-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 138014882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).