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

C15H27N3O — CID 79163563

IUPAC(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCC1C2CNCC2CN1C(=O)N1CCCC(C)C1
InChIInChI=1S/C15H27N3O/c1-3-14-13-8-16-7-12(13)10-18(14)15(19)17-6-4-5-11(2)9-17/h11-14,16H,3-10H2,1-2H3
InChIKeyJSOWRCRYDASIIG-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.77
Rot. Bonds1

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

(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 79163563) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID79163563
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCC1C2CNCC2CN1C(=O)N1CCCC(C)C1
InChIInChI=1S/C15H27N3O/c1-3-14-13-8-16-7-12(13)10-18(14)15(19)17-6-4-5-11(2)9-17/h11-14,16H,3-10H2,1-2H3
InChIKeyJSOWRCRYDASIIG-UHFFFAOYSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone (CID 79163563) is (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone is CCC1C2CNCC2CN1C(=O)N1CCCC(C)C1.
What is the InChIKey of (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is JSOWRCRYDASIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-14-13-8-16-7-12(13)10-18(14)15(19)17-6-4-5-11(2)9-17/h11-14,16H,3-10H2,1-2H3.
What are the key properties of (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone?
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 265.40 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 79163563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).