[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone

C18H23N3O — CID 110695733

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc[nH]c3C)CC2)c1C
InChIInChI=1S/C18H23N3O/c1-13-5-4-6-17(14(13)2)20-9-11-21(12-10-20)18(22)16-7-8-19-15(16)3/h4-8,19H,9-12H2,1-3H3
InChIKeyDUDDGLHBUAHDQA-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.90
Rot. Bonds2

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone (PubChem CID 110695733) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
PubChem CID110695733
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc[nH]c3C)CC2)c1C
InChIInChI=1S/C18H23N3O/c1-13-5-4-6-17(14(13)2)20-9-11-21(12-10-20)18(22)16-7-8-19-15(16)3/h4-8,19H,9-12H2,1-3H3
InChIKeyDUDDGLHBUAHDQA-UHFFFAOYSA-N
XLogP2.90
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 2932834
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556281
(6-chloro-1H-indol-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 113206391
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
(2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 27259352
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 4631912
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136832045
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 114897065

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone (CID 110695733) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone is Cc1cccc(N2CCN(C(=O)c3cc[nH]c3C)CC2)c1C.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
The InChIKey is DUDDGLHBUAHDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-5-4-6-17(14(13)2)20-9-11-21(12-10-20)18(22)16-7-8-19-15(16)3/h4-8,19H,9-12H2,1-3H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 110695733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).