(4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone

C22H23N3O — CID 110416835

IUPAC(4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESCN1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1c1ccccc1
InChIInChI=1S/C22H23N3O/c1-23-15-16-25(17-21(23)18-7-3-2-4-8-18)22(26)19-9-11-20(12-10-19)24-13-5-6-14-24/h2-14,21H,15-17H2,1H3
InChIKeyMHAAVOBSXVGWHY-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.61
Rot. Bonds3

About (4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone

(4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 110416835) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
PubChem CID110416835
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESCN1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1c1ccccc1
InChIInChI=1S/C22H23N3O/c1-23-15-16-25(17-21(23)18-7-3-2-4-8-18)22(26)19-9-11-20(12-10-19)24-13-5-6-14-24/h2-14,21H,15-17H2,1H3
InChIKeyMHAAVOBSXVGWHY-UHFFFAOYSA-N
XLogP3.61
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 86285379
[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124989714
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 66262361
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874
[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110416916
[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 41265479
(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472
2-[(3S)-4-methyl-3-phenylpiperazine-1-carbonyl]benzonitrile
CID 99994815
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone (CID 110416835) is (4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone is CN1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1c1ccccc1.
What is the InChIKey of (4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is MHAAVOBSXVGWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-23-15-16-25(17-21(23)18-7-3-2-4-8-18)22(26)19-9-11-20(12-10-19)24-13-5-6-14-24/h2-14,21H,15-17H2,1H3.
What are the key properties of (4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone?
(4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 345.45 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 110416835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).