2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C20H24N2O2 — CID 20889311

IUPAC2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1ccccc1C(=O)c1cccn1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C20H24N2O2/c1-15-9-12-21(13-10-15)19(23)14-22-11-5-8-18(22)20(24)17-7-4-3-6-16(17)2/h3-8,11,15H,9-10,12-14H2,1-2H3
InChIKeyZUSPTNWCRSNJPM-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.29
Rot. Bonds4

About 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 20889311) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID20889311
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1ccccc1C(=O)c1cccn1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C20H24N2O2/c1-15-9-12-21(13-10-15)19(23)14-22-11-5-8-18(22)20(24)17-7-4-3-6-16(17)2/h3-8,11,15H,9-10,12-14H2,1-2H3
InChIKeyZUSPTNWCRSNJPM-UHFFFAOYSA-N
XLogP3.29
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-[2-(2-methylbenzoyl)pyrrol-1-yl]ethanone
CID 20889312
2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 20889293
1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324531
1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325282
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 53161876
(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 70253538
2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone
CID 63622437
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
ethyl 1-[2-(azepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylate
CID 102604458
1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 112627151
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
CID 820162
[(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285877

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 20889311) is 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is Cc1ccccc1C(=O)c1cccn1CC(=O)N1CCC(C)CC1.
What is the InChIKey of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is ZUSPTNWCRSNJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-9-12-21(13-10-15)19(23)14-22-11-5-8-18(22)20(24)17-7-4-3-6-16(17)2/h3-8,11,15H,9-10,12-14H2,1-2H3.
What are the key properties of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 324.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 20889311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).