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

C18H30N4O3 — CID 97439099

IUPAC(3aS,6aR)-N,N-dimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
SMILESCC(C)CC(=O)N1CCC2(CC1)NC(=O)[C@H]1CN(C(=O)N(C)C)C[C@H]12
InChIInChI=1S/C18H30N4O3/c1-12(2)9-15(23)21-7-5-18(6-8-21)14-11-22(17(25)20(3)4)10-13(14)16(24)19-18/h12-14H,5-11H2,1-4H3,(H,19,24)/t13-,14+/m0/s1
InChIKeyNAZUBNVVTJMMES-UONOGXRCSA-N
MW350.46 g/mol
LogP0.75
Rot. Bonds2

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

(3aS,6aR)-N,N-dimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide (PubChem CID 97439099) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3aS,6aR)-N,N-dimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-N,N-dimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
PubChem CID97439099
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name(3aS,6aR)-N,N-dimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
SMILESCC(C)CC(=O)N1CCC2(CC1)NC(=O)[C@H]1CN(C(=O)N(C)C)C[C@H]12
InChIInChI=1S/C18H30N4O3/c1-12(2)9-15(23)21-7-5-18(6-8-21)14-11-22(17(25)20(3)4)10-13(14)16(24)19-18/h12-14H,5-11H2,1-4H3,(H,19,24)/t13-,14+/m0/s1
InChIKeyNAZUBNVVTJMMES-UONOGXRCSA-N
XLogP0.75
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
CID 97439101
(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
(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
2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493805
(3aS,6aR)-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 97522186
(3aS,6aR)-5-N,5-N-dimethyl-1-oxo-1-N'-propan-2-ylspiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1',5-dicarboxamide
CID 97522188
(3aS,6aR)-2-methyl-1'-(2-methylpropanoyl)-5-(2-methylpropyl)spiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1-one
CID 97522197
(3aS,6aR)-5-acetyl-2-methyl-1'-(2-methylpropanoyl)spiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1-one
CID 97522245
(3aS,6aR)-1'-acetyl-N,N,2-trimethyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
CID 97522257
(3aS,6aR)-5-N,5-N,2-trimethyl-1-oxo-1-N'-propan-2-ylspiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1',5-dicarboxamide
CID 97522263
(3aS,6aR)-5-ethyl-2-(2-methylpropyl)-6-oxo-N-propan-2-ylspiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1'-carboxamide
CID 97522267
3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.5^{6}.3^{5}]tetradecane-13-carboxamide
CID 118742205

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N,N-dimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
The IUPAC name of (3aS,6aR)-N,N-dimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide (CID 97439099) is (3aS,6aR)-N,N-dimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide.
What is the SMILES notation for (3aS,6aR)-N,N-dimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
The canonical SMILES for (3aS,6aR)-N,N-dimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide is CC(C)CC(=O)N1CCC2(CC1)NC(=O)[C@H]1CN(C(=O)N(C)C)C[C@H]12.
What is the InChIKey of (3aS,6aR)-N,N-dimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
The InChIKey is NAZUBNVVTJMMES-UONOGXRCSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-12(2)9-15(23)21-7-5-18(6-8-21)14-11-22(17(25)20(3)4)10-13(14)16(24)19-18/h12-14H,5-11H2,1-4H3,(H,19,24)/t13-,14+/m0/s1.
What are the key properties of (3aS,6aR)-N,N-dimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
(3aS,6aR)-N,N-dimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N,N-dimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide is sourced from PubChem (CID 97439099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).