1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone

C12H18N2O — CID 11333223

IUPAC1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone
SMILESCn1cccc1C(=O)CN1CCCCC1
InChIInChI=1S/C12H18N2O/c1-13-7-5-6-11(13)12(15)10-14-8-3-2-4-9-14/h5-7H,2-4,8-10H2,1H3
InChIKeyLNZJESQAAKBMTP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.69
Rot. Bonds3

About 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone

1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone (PubChem CID 11333223) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone
PubChem CID11333223
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone
SMILESCn1cccc1C(=O)CN1CCCCC1
InChIInChI=1S/C12H18N2O/c1-13-7-5-6-11(13)12(15)10-14-8-3-2-4-9-14/h5-7H,2-4,8-10H2,1H3
InChIKeyLNZJESQAAKBMTP-UHFFFAOYSA-N
XLogP1.69
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone 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-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone (CID 11333223) is 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone is Cn1cccc1C(=O)CN1CCCCC1.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone?
The InChIKey is LNZJESQAAKBMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13-7-5-6-11(13)12(15)10-14-8-3-2-4-9-14/h5-7H,2-4,8-10H2,1H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone?
1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanone has a molecular weight of 206.29 g/mol, XLogP of 1.69, 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-ylethanone is sourced from PubChem (CID 11333223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).