(3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide

C18H30N4O3 — CID 97439163

IUPAC(3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
SMILESCC(C)C(=O)N1CCC2(CC1)[C@@H]1CN(C(=O)N(C)C)C[C@@H]1C(=O)N2C
InChIInChI=1S/C18H30N4O3/c1-12(2)15(23)21-8-6-18(7-9-21)14-11-22(17(25)19(3)4)10-13(14)16(24)20(18)5/h12-14H,6-11H2,1-5H3/t13-,14+/m0/s1
InChIKeyOYBUBBSPBGXJLC-UONOGXRCSA-N
MW350.46 g/mol
LogP0.71
Rot. Bonds1

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

(3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide (PubChem CID 97439163) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
PubChem CID97439163
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name(3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
SMILESCC(C)C(=O)N1CCC2(CC1)[C@@H]1CN(C(=O)N(C)C)C[C@@H]1C(=O)N2C
InChIInChI=1S/C18H30N4O3/c1-12(2)15(23)21-8-6-18(7-9-21)14-11-22(17(25)19(3)4)10-13(14)16(24)20(18)5/h12-14H,6-11H2,1-5H3/t13-,14+/m0/s1
InChIKeyOYBUBBSPBGXJLC-UONOGXRCSA-N
XLogP0.71
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
The IUPAC name of (3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide (CID 97439163) is (3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide.
What is the SMILES notation for (3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
The canonical SMILES for (3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide is CC(C)C(=O)N1CCC2(CC1)[C@@H]1CN(C(=O)N(C)C)C[C@@H]1C(=O)N2C.
What is the InChIKey of (3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
The InChIKey is OYBUBBSPBGXJLC-UONOGXRCSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-12(2)15(23)21-8-6-18(7-9-21)14-11-22(17(25)19(3)4)10-13(14)16(24)20(18)5/h12-14H,6-11H2,1-5H3/t13-,14+/m0/s1.
What are the key properties of (3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
(3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide is sourced from PubChem (CID 97439163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).