(3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one

C16H25N3O4 — CID 146120027

IUPAC(3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
SMILESCO[C@@H]1C(=O)N(C)[C@@H]2CN(C(=O)C3CCN(C(C)=O)CC3)C[C@H]12
InChIInChI=1S/C16H25N3O4/c1-10(20)18-6-4-11(5-7-18)15(21)19-8-12-13(9-19)17(2)16(22)14(12)23-3/h11-14H,4-9H2,1-3H3/t12-,13+,14-/m0/s1
InChIKeyCBIARWAZUYKKSV-MJBXVCDLSA-N
MW323.39 g/mol
LogP-0.44
Rot. Bonds2

About (3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one

(3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one (PubChem CID 146120027) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is (3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one.

Molecular Properties

Compound Name(3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
PubChem CID146120027
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name(3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
SMILESCO[C@@H]1C(=O)N(C)[C@@H]2CN(C(=O)C3CCN(C(C)=O)CC3)C[C@H]12
InChIInChI=1S/C16H25N3O4/c1-10(20)18-6-4-11(5-7-18)15(21)19-8-12-13(9-19)17(2)16(22)14(12)23-3/h11-14H,4-9H2,1-3H3/t12-,13+,14-/m0/s1
InChIKeyCBIARWAZUYKKSV-MJBXVCDLSA-N
XLogP-0.44
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one 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

(3S,3aS,6aS)-5-(cyclobutanecarbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
CID 146120011
(3S,3aS,6aS)-5-acetyl-3-(cyclopropylmethoxy)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
CID 146119886
(3S,3aS,6aS)-3-methoxy-N-(2-methoxyethyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
CID 146120003
(3S,3aS,6aS)-1-benzyl-3-methoxy-5-(oxane-4-carbonyl)-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
CID 146119822
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
methyl 4-(1-acetylpiperidine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808697
1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone
CID 110156724
1-[3-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carbonyl]azetidin-1-yl]ethanone
CID 129491378
1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 72894166
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 110686039

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one?
The IUPAC name of (3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one (CID 146120027) is (3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one.
What is the SMILES notation for (3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one?
The canonical SMILES for (3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one is CO[C@@H]1C(=O)N(C)[C@@H]2CN(C(=O)C3CCN(C(C)=O)CC3)C[C@H]12.
What is the InChIKey of (3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one?
The InChIKey is CBIARWAZUYKKSV-MJBXVCDLSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-10(20)18-6-4-11(5-7-18)15(21)19-8-12-13(9-19)17(2)16(22)14(12)23-3/h11-14H,4-9H2,1-3H3/t12-,13+,14-/m0/s1.
What are the key properties of (3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one?
(3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one has a molecular weight of 323.39 g/mol, XLogP of -0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aS)-5-(1-acetylpiperidine-4-carbonyl)-3-methoxy-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one is sourced from PubChem (CID 146120027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).