(3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide

C17H28N4O3 — CID 125216031

IUPAC(3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)[C@@H]1CN(C(=O)N(C)C)C[C@@H]12
InChIInChI=1S/C17H28N4O3/c1-11(2)15(23)20-7-5-17(6-8-20)13-10-21(16(24)19(3)4)9-12(13)14(22)18-17/h11-13H,5-10H2,1-4H3,(H,18,22)/t12-,13+/m1/s1
InChIKeyKWOXISIZZZVYIW-OLZOCXBDSA-N
MW336.44 g/mol
LogP0.36
Rot. Bonds1

About (3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide

(3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide (PubChem CID 125216031) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
PubChem CID125216031
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)[C@@H]1CN(C(=O)N(C)C)C[C@@H]12
InChIInChI=1S/C17H28N4O3/c1-11(2)15(23)20-7-5-17(6-8-20)13-10-21(16(24)19(3)4)9-12(13)14(22)18-17/h11-13H,5-10H2,1-4H3,(H,18,22)/t12-,13+/m1/s1
InChIKeyKWOXISIZZZVYIW-OLZOCXBDSA-N
XLogP0.36
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
The IUPAC name of (3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide (CID 125216031) is (3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide.
What is the SMILES notation for (3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
The canonical SMILES for (3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide is CC(C)C(=O)N1CCC2(CC1)NC(=O)[C@@H]1CN(C(=O)N(C)C)C[C@@H]12.
What is the InChIKey of (3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
The InChIKey is KWOXISIZZZVYIW-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-11(2)15(23)20-7-5-17(6-8-20)13-10-21(16(24)19(3)4)9-12(13)14(22)18-17/h11-13H,5-10H2,1-4H3,(H,18,22)/t12-,13+/m1/s1.
What are the key properties of (3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
(3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide is sourced from PubChem (CID 125216031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).