[1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone

C17H23N3O — CID 11616192

IUPAC[1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone
SMILESCC1CCCCN1Cc1ccc(C(=O)n2cccc2)n1C
InChIInChI=1S/C17H23N3O/c1-14-7-3-4-12-20(14)13-15-8-9-16(18(15)2)17(21)19-10-5-6-11-19/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3
InChIKeyJIPPUYRHHFIMSB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.89
Rot. Bonds3

About [1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone

[1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone (PubChem CID 11616192) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone.

Molecular Properties

Compound Name[1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone
PubChem CID11616192
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone
SMILESCC1CCCCN1Cc1ccc(C(=O)n2cccc2)n1C
InChIInChI=1S/C17H23N3O/c1-14-7-3-4-12-20(14)13-15-8-9-16(18(15)2)17(21)19-10-5-6-11-19/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3
InChIKeyJIPPUYRHHFIMSB-UHFFFAOYSA-N
XLogP2.89
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone?
The IUPAC name of [1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone (CID 11616192) is [1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone.
What is the SMILES notation for [1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone?
The canonical SMILES for [1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone is CC1CCCCN1Cc1ccc(C(=O)n2cccc2)n1C.
What is the InChIKey of [1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone?
The InChIKey is JIPPUYRHHFIMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-7-3-4-12-20(14)13-15-8-9-16(18(15)2)17(21)19-10-5-6-11-19/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3.
What are the key properties of [1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone?
[1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone has a molecular weight of 285.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[(2-methylpiperidin-1-yl)methyl]pyrrol-2-yl]-pyrrol-1-ylmethanone is sourced from PubChem (CID 11616192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).