[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone

C17H21N3O — CID 110762685

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccn(C)c3)CC2)c1
InChIInChI=1S/C17H21N3O/c1-14-4-3-5-16(12-14)19-8-10-20(11-9-19)17(21)15-6-7-18(2)13-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyKMFHENALFJXLOX-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.30
Rot. Bonds2

About [4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone

[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone (PubChem CID 110762685) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
PubChem CID110762685
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccn(C)c3)CC2)c1
InChIInChI=1S/C17H21N3O/c1-14-4-3-5-16(12-14)19-8-10-20(11-9-19)17(21)15-6-7-18(2)13-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyKMFHENALFJXLOX-UHFFFAOYSA-N
XLogP2.30
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110805271
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzonitrile
CID 17478919
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762669
[4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone
CID 109103768
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
[4-(3-methylphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 25398177

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone (CID 110762685) is [4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone is Cc1cccc(N2CCN(C(=O)c3ccn(C)c3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The InChIKey is KMFHENALFJXLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14-4-3-5-16(12-14)19-8-10-20(11-9-19)17(21)15-6-7-18(2)13-15/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone has a molecular weight of 283.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone is sourced from PubChem (CID 110762685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).