[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone

C13H23N3O — CID 79162739

IUPAC[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CC[C@H]3CNC[C@H]32)C1
InChIInChI=1S/C13H23N3O/c1-10-3-2-5-15(9-10)13(17)16-6-4-11-7-14-8-12(11)16/h10-12,14H,2-9H2,1H3/t10?,11-,12+/m0/s1
InChIKeyNJOFOZHORLPHDA-GLXQMMQGSA-N
MW237.35 g/mol
LogP1.13
Rot. Bonds

About [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone

[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 79162739) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID79162739
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CC[C@H]3CNC[C@H]32)C1
InChIInChI=1S/C13H23N3O/c1-10-3-2-5-15(9-10)13(17)16-6-4-11-7-14-8-12(11)16/h10-12,14H,2-9H2,1H3/t10?,11-,12+/m0/s1
InChIKeyNJOFOZHORLPHDA-GLXQMMQGSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 79163563
(2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116655527
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 43596676
(2-methylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116653733
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330076
1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone
CID 166469294
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylic acid
CID 22633033
N,N-dimethyl-1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxamide
CID 79163292
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107180595
1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone
CID 76897398
methyl 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate
CID 89278598
(3aS,6aS)-N,N-diethyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 79161578

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone (CID 79162739) is [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)N2CC[C@H]3CNC[C@H]32)C1.
What is the InChIKey of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is NJOFOZHORLPHDA-GLXQMMQGSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-3-2-5-15(9-10)13(17)16-6-4-11-7-14-8-12(11)16/h10-12,14H,2-9H2,1H3/t10?,11-,12+/m0/s1.
What are the key properties of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone?
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 237.35 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 79162739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).