[(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone

C19H30N4O2 — CID 138015776

IUPAC[(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone
SMILESCc1nn(C(C)C)cc1C(=O)N1CC2(CCN(C)CC2)[C@H]2COC[C@H]21
InChIInChI=1S/C19H30N4O2/c1-13(2)23-9-15(14(3)20-23)18(24)22-12-19(5-7-21(4)8-6-19)16-10-25-11-17(16)22/h9,13,16-17H,5-8,10-12H2,1-4H3/t16-,17+/m0/s1
InChIKeyGTPIOSLGJBMGIH-DLBZAZTESA-N
MW346.48 g/mol
LogP1.96
Rot. Bonds2

About [(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone

[(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 138015776) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID138015776
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone
SMILESCc1nn(C(C)C)cc1C(=O)N1CC2(CCN(C)CC2)[C@H]2COC[C@H]21
InChIInChI=1S/C19H30N4O2/c1-13(2)23-9-15(14(3)20-23)18(24)22-12-19(5-7-21(4)8-6-19)16-10-25-11-17(16)22/h9,13,16-17H,5-8,10-12H2,1-4H3/t16-,17+/m0/s1
InChIKeyGTPIOSLGJBMGIH-DLBZAZTESA-N
XLogP1.96
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone (CID 138015776) is [(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone is Cc1nn(C(C)C)cc1C(=O)N1CC2(CCN(C)CC2)[C@H]2COC[C@H]21.
What is the InChIKey of [(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is GTPIOSLGJBMGIH-DLBZAZTESA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(2)23-9-15(14(3)20-23)18(24)22-12-19(5-7-21(4)8-6-19)16-10-25-11-17(16)22/h9,13,16-17H,5-8,10-12H2,1-4H3/t16-,17+/m0/s1.
What are the key properties of [(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone?
[(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 346.48 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-1'-methylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]-(3-methyl-1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 138015776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).