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

C23H34N4O3 — CID 125227524

IUPAC(3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC3(CC2)[C@H]2CN(CCOC)C[C@H]2C(=O)N3C)cc1
InChIInChI=1S/C23H34N4O3/c1-4-17-5-7-18(8-6-17)24-22(29)27-11-9-23(10-12-27)20-16-26(13-14-30-3)15-19(20)21(28)25(23)2/h5-8,19-20H,4,9-16H2,1-3H3,(H,24,29)/t19-,20+/m1/s1
InChIKeyFKUBAWBSQNCFBK-UXHICEINSA-N
MW414.55 g/mol
LogP2.28
Rot. Bonds5

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

(3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide (PubChem CID 125227524) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is (3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide
PubChem CID125227524
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name(3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC3(CC2)[C@H]2CN(CCOC)C[C@H]2C(=O)N3C)cc1
InChIInChI=1S/C23H34N4O3/c1-4-17-5-7-18(8-6-17)24-22(29)27-11-9-23(10-12-27)20-16-26(13-14-30-3)15-19(20)21(28)25(23)2/h5-8,19-20H,4,9-16H2,1-3H3,(H,24,29)/t19-,20+/m1/s1
InChIKeyFKUBAWBSQNCFBK-UXHICEINSA-N
XLogP2.28
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

5-(2-methoxyethyl)-2-methyl-1'-(1H-pyrrole-3-carbonyl)spiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1-one
CID 131696241
N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104950
(3aR,6aS)-1'-(5-ethylpyrimidin-2-yl)-5-(2-methoxyethyl)-2-methylspiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1-one
CID 124809380
(3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide
CID 125227195
(3aS,6aR)-1'-(4-fluorophenyl)sulfonyl-5-(2-methoxyethyl)-2-methylspiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1-one;2,2,2-trifluoroacetic acid
CID 155858044
(3aR,6aS)-5-ethyl-2-(2-methoxyethyl)-1'-(pyrimidine-4-carbonyl)spiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-6-one
CID 124831333
(3aS,6aR)-2-methyl-1'-(pyridine-3-carbonyl)-5-(pyridin-3-ylmethyl)spiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1-one
CID 155901515
N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 47032203
4-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113104985
3-ethyl-N-(3-ethylphenyl)-13-(2-methoxyethyl)-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 131640724
4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105001
(5S)-3-ethyl-13-(2-methoxyethyl)-4-oxo-N-phenyl-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 97439916

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of (3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide (CID 125227524) is (3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for (3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for (3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide is CCc1ccc(NC(=O)N2CCC3(CC2)[C@H]2CN(CCOC)C[C@H]2C(=O)N3C)cc1.
What is the InChIKey of (3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is FKUBAWBSQNCFBK-UXHICEINSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-4-17-5-7-18(8-6-17)24-22(29)27-11-9-23(10-12-27)20-16-26(13-14-30-3)15-19(20)21(28)25(23)2/h5-8,19-20H,4,9-16H2,1-3H3,(H,24,29)/t19-,20+/m1/s1.
What are the key properties of (3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide?
(3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 125227524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).