[(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

C16H26N2O2 — CID 138010805

IUPAC[(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
SMILESO=C(N1CCC2(CCC2)CC1)[C@]12CNC[C@H]1CCOC2
InChIInChI=1S/C16H26N2O2/c19-14(16-11-17-10-13(16)2-9-20-12-16)18-7-5-15(6-8-18)3-1-4-15/h13,17H,1-12H2/t13-,16+/m1/s1
InChIKeyFZAWCNJEPKTWRW-CJNGLKHVSA-N
MW278.40 g/mol
LogP1.41
Rot. Bonds1

About [(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

[(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 (PubChem CID 138010805) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID138010805
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[(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
SMILESO=C(N1CCC2(CCC2)CC1)[C@]12CNC[C@H]1CCOC2
InChIInChI=1S/C16H26N2O2/c19-14(16-11-17-10-13(16)2-9-20-12-16)18-7-5-15(6-8-18)3-1-4-15/h13,17H,1-12H2/t13-,16+/m1/s1
InChIKeyFZAWCNJEPKTWRW-CJNGLKHVSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.41
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]-(7-azaspiro[3.5]nonan-7-yl)methanone with MolForge

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Related Compounds

[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4-methylpiperidin-1-yl)methanone
CID 138014882
[(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]-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 138010644
(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-(2,2,2-trifluoroethyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 167785947
(3aS,7aS)-N-propyl-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138014885
(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
(3aS,7aS)-N-[2-(methylamino)ethyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 154844880
(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
1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone
CID 64609584
2-oxa-7-azaspiro[4.4]nonan-7-yl(piperidin-3-yl)methanone
CID 119340778
[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone;hydrochloride
CID 171708435

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]-(7-azaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is O=C(N1CCC2(CCC2)CC1)[C@]12CNC[C@H]1CCOC2.
What is the InChIKey of [(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?
The InChIKey is FZAWCNJEPKTWRW-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-14(16-11-17-10-13(16)2-9-20-12-16)18-7-5-15(6-8-18)3-1-4-15/h13,17H,1-12H2/t13-,16+/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]-(7-azaspiro[3.5]nonan-7-yl)methanone?
[(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 has a molecular weight of 278.40 g/mol, XLogP of 1.41, 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]-(7-azaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 138010805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).