[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone

C18H21N3O — CID 124989714

IUPAC[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C)[C@@H](c3ccccc3)C2)cn1
InChIInChI=1S/C18H21N3O/c1-14-8-9-16(12-19-14)18(22)21-11-10-20(2)17(13-21)15-6-4-3-5-7-15/h3-9,12,17H,10-11,13H2,1-2H3/t17-/m1/s1
InChIKeyOWNPMNHADZGAMM-QGZVFWFLSA-N
MW295.39 g/mol
LogP2.52
Rot. Bonds2

About [(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone

[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 124989714) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID124989714
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C)[C@@H](c3ccccc3)C2)cn1
InChIInChI=1S/C18H21N3O/c1-14-8-9-16(12-19-14)18(22)21-11-10-20(2)17(13-21)15-6-4-3-5-7-15/h3-9,12,17H,10-11,13H2,1-2H3/t17-/m1/s1
InChIKeyOWNPMNHADZGAMM-QGZVFWFLSA-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

(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 86285379
[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124992452
(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 110098379
(4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110416835
2-[(3S)-4-methyl-3-phenylpiperazine-1-carbonyl]benzonitrile
CID 99994815
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 125001754
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874
[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 124953934
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 124958848
(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472
(2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
CID 124944737

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 124989714) is [(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCN(C)[C@@H](c3ccccc3)C2)cn1.
What is the InChIKey of [(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is OWNPMNHADZGAMM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-8-9-16(12-19-14)18(22)21-11-10-20(2)17(13-21)15-6-4-3-5-7-15/h3-9,12,17H,10-11,13H2,1-2H3/t17-/m1/s1.
What are the key properties of [(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-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 [(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 124989714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).