(1-methylpyrrol-3-yl)-piperidin-1-ylmethanone

C11H16N2O — CID 110762623

IUPAC(1-methylpyrrol-3-yl)-piperidin-1-ylmethanone
SMILESCn1ccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C11H16N2O/c1-12-8-5-10(9-12)11(14)13-6-3-2-4-7-13/h5,8-9H,2-4,6-7H2,1H3
InChIKeyRQQMHJRKWFLALL-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.65
Rot. Bonds1

About (1-methylpyrrol-3-yl)-piperidin-1-ylmethanone

(1-methylpyrrol-3-yl)-piperidin-1-ylmethanone (PubChem CID 110762623) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (1-methylpyrrol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-methylpyrrol-3-yl)-piperidin-1-ylmethanone
PubChem CID110762623
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(1-methylpyrrol-3-yl)-piperidin-1-ylmethanone
SMILESCn1ccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C11H16N2O/c1-12-8-5-10(9-12)11(14)13-6-3-2-4-7-13/h5,8-9H,2-4,6-7H2,1H3
InChIKeyRQQMHJRKWFLALL-UHFFFAOYSA-N
XLogP1.65
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-methylpyrrol-3-yl)-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1-methylpyrrol-3-yl)-piperidin-1-ylmethanone (CID 110762623) is (1-methylpyrrol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-methylpyrrol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-methylpyrrol-3-yl)-piperidin-1-ylmethanone is Cn1ccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of (1-methylpyrrol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is RQQMHJRKWFLALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-8-5-10(9-12)11(14)13-6-3-2-4-7-13/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of (1-methylpyrrol-3-yl)-piperidin-1-ylmethanone?
(1-methylpyrrol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 192.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 110762623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).