1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one

C13H20N2O — CID 11333500

IUPAC1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)c1cccn1C)N1CCCCC1
InChIInChI=1S/C13H20N2O/c1-11(15-9-4-3-5-10-15)13(16)12-7-6-8-14(12)2/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyXUNJRFJLOXYNRL-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.08
Rot. Bonds3

About 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one

1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one (PubChem CID 11333500) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one
PubChem CID11333500
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)c1cccn1C)N1CCCCC1
InChIInChI=1S/C13H20N2O/c1-11(15-9-4-3-5-10-15)13(16)12-7-6-8-14(12)2/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyXUNJRFJLOXYNRL-UHFFFAOYSA-N
XLogP2.08
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one (CID 11333500) is 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one is CC(C(=O)c1cccn1C)N1CCCCC1.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one?
The InChIKey is XUNJRFJLOXYNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(15-9-4-3-5-10-15)13(16)12-7-6-8-14(12)2/h6-8,11H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one?
1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one has a molecular weight of 220.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 11333500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).