(4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone

C14H22N2O — CID 110691230

IUPAC(4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)CC2)c(C)n1C
InChIInChI=1S/C14H22N2O/c1-10-5-7-16(8-6-10)14(17)13-9-11(2)15(4)12(13)3/h9-10H,5-8H2,1-4H3
InChIKeyRGRIMAYSEBHMEB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.51
Rot. Bonds1

About (4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone

(4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone (PubChem CID 110691230) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
PubChem CID110691230
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)CC2)c(C)n1C
InChIInChI=1S/C14H22N2O/c1-10-5-7-16(8-6-10)14(17)13-9-11(2)15(4)12(13)3/h9-10H,5-8H2,1-4H3
InChIKeyRGRIMAYSEBHMEB-UHFFFAOYSA-N
XLogP2.51
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

cyclopropyl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806546
(4-methylpiperazin-4-ium-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 9183186
(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802146
cyclohexyl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110807056
(2-chlorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802824
[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 70748471
[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 30478701
1H-pyrrol-3-yl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815480
(2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815315
(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 593464
(4-methylsulfanylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815727
2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone
CID 110804247

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone (CID 110691230) is (4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone is Cc1cc(C(=O)N2CCC(C)CC2)c(C)n1C.
What is the InChIKey of (4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone?
The InChIKey is RGRIMAYSEBHMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-5-7-16(8-6-10)14(17)13-9-11(2)15(4)12(13)3/h9-10H,5-8H2,1-4H3.
What are the key properties of (4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone?
(4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone has a molecular weight of 234.34 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone is sourced from PubChem (CID 110691230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).