(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone

C18H21N3O — CID 110098379

IUPAC(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCN(C)C(c2ccccc2)C1
InChIInChI=1S/C18H21N3O/c1-14-7-6-10-19-17(14)18(22)21-12-11-20(2)16(13-21)15-8-4-3-5-9-15/h3-10,16H,11-13H2,1-2H3
InChIKeyWYTDANMAPPRXKI-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.52
Rot. Bonds2

About (4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone

(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone (PubChem CID 110098379) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone
PubChem CID110098379
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCN(C)C(c2ccccc2)C1
InChIInChI=1S/C18H21N3O/c1-14-7-6-10-19-17(14)18(22)21-12-11-20(2)16(13-21)15-8-4-3-5-9-15/h3-10,16H,11-13H2,1-2H3
InChIKeyWYTDANMAPPRXKI-UHFFFAOYSA-N
XLogP2.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124948188
[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 128993003
[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124989714
(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 86285379
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 125001754
(3-hydroxyazetidin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 63106422
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453
(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119482706
(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472
2-[(3S)-4-methyl-3-phenylpiperazine-1-carbonyl]benzonitrile
CID 99994815

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone?
The IUPAC name of (4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone (CID 110098379) is (4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for (4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone?
The canonical SMILES for (4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone is Cc1cccnc1C(=O)N1CCN(C)C(c2ccccc2)C1.
What is the InChIKey of (4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone?
The InChIKey is WYTDANMAPPRXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-7-6-10-19-17(14)18(22)21-12-11-20(2)16(13-21)15-8-4-3-5-9-15/h3-10,16H,11-13H2,1-2H3.
What are the key properties of (4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone?
(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone has a molecular weight of 295.39 g/mol, XLogP of 2.52, 2 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)-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 110098379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).