1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one

C15H25N3O2 — CID 120655551

IUPAC1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1C(=O)N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C15H25N3O2/c1-2-14(19)18-6-4-3-5-13(18)15(20)17-9-11-7-16-8-12(11)10-17/h11-13,16H,2-10H2,1H3/t11-,12+,13?
InChIKeyJJEURAXXWKPDQT-FUNVUKJBSA-N
MW279.38 g/mol
LogP0.46
Rot. Bonds2

About 1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one

1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 120655551) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID120655551
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1C(=O)N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C15H25N3O2/c1-2-14(19)18-6-4-3-5-13(18)15(20)17-9-11-7-16-8-12(11)10-17/h11-13,16H,2-10H2,1H3/t11-,12+,13?
InChIKeyJJEURAXXWKPDQT-FUNVUKJBSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[2-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)piperidin-1-yl]propan-1-one
CID 71924100
1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 120657949
1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 119483476
1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)propan-1-one
CID 130578177
1-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42702614
1-[2-(6-azaspiro[3.4]octane-6-carbonyl)piperidin-1-yl]propan-1-one
CID 102555137
1-propanoylpiperidine-2-carboxamide
CID 60717244
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-bromobenzoyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 120660043
cyclopropyl-[2-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 55177817
1-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one
CID 130577913
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one (CID 120655551) is 1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCCC1C(=O)N1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of 1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is JJEURAXXWKPDQT-FUNVUKJBSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-14(19)18-6-4-3-5-13(18)15(20)17-9-11-7-16-8-12(11)10-17/h11-13,16H,2-10H2,1H3/t11-,12+,13?.
What are the key properties of 1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one?
1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 279.38 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 120655551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).