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

C19H32N4O3 — CID 97439162

IUPAC(3aS,6aR)-N,N,2-trimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
SMILESCC(C)CC(=O)N1CCC2(CC1)[C@@H]1CN(C(=O)N(C)C)C[C@@H]1C(=O)N2C
InChIInChI=1S/C19H32N4O3/c1-13(2)10-16(24)22-8-6-19(7-9-22)15-12-23(18(26)20(3)4)11-14(15)17(25)21(19)5/h13-15H,6-12H2,1-5H3/t14-,15+/m0/s1
InChIKeyOVTAMCQBZMQDAC-LSDHHAIUSA-N
MW364.49 g/mol
LogP1.10
Rot. Bonds2

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

(3aS,6aR)-N,N,2-trimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide (PubChem CID 97439162) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is (3aS,6aR)-N,N,2-trimethyl-1'-(3-methylbutanoyl)-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'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
PubChem CID97439162
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name(3aS,6aR)-N,N,2-trimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
SMILESCC(C)CC(=O)N1CCC2(CC1)[C@@H]1CN(C(=O)N(C)C)C[C@@H]1C(=O)N2C
InChIInChI=1S/C19H32N4O3/c1-13(2)10-16(24)22-8-6-19(7-9-22)15-12-23(18(26)20(3)4)11-14(15)17(25)21(19)5/h13-15H,6-12H2,1-5H3/t14-,15+/m0/s1
InChIKeyOVTAMCQBZMQDAC-LSDHHAIUSA-N
XLogP1.10
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N,N,2-trimethyl-1'-(3-methylbutanoyl)-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'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide (CID 97439162) is (3aS,6aR)-N,N,2-trimethyl-1'-(3-methylbutanoyl)-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'-(3-methylbutanoyl)-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'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide is CC(C)CC(=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'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
The InChIKey is OVTAMCQBZMQDAC-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-13(2)10-16(24)22-8-6-19(7-9-22)15-12-23(18(26)20(3)4)11-14(15)17(25)21(19)5/h13-15H,6-12H2,1-5H3/t14-,15+/m0/s1.
What are the key properties of (3aS,6aR)-N,N,2-trimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
(3aS,6aR)-N,N,2-trimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 1.10, 2 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'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide is sourced from PubChem (CID 97439162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).