[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone

C19H23N3O — CID 141265306

IUPAC[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1cnc(N2CCN(C(=O)c3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C19H23N3O/c1-14-12-16(3)18(20-13-14)21-8-10-22(11-9-21)19(23)17-7-5-4-6-15(17)2/h4-7,12-13H,8-11H2,1-3H3
InChIKeyMPNPMECHDLTIJR-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.97
Rot. Bonds2

About [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone

[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 141265306) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID141265306
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1cnc(N2CCN(C(=O)c3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C19H23N3O/c1-14-12-16(3)18(20-13-14)21-8-10-22(11-9-21)19(23)17-7-5-4-6-15(17)2/h4-7,12-13H,8-11H2,1-3H3
InChIKeyMPNPMECHDLTIJR-UHFFFAOYSA-N
XLogP2.97
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(6-fluoro-4-methyl-3-pyridinyl)methanone
CID 71252935
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 141315989
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone
CID 71252432
(2-methylphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072836
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-hydroxy-3,5-dimethylimidazol-2-one
CID 123782642
6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile
CID 143982857
(4-bromo-2-nitrophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone
CID 58484547
(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone
CID 67381229
(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one
CID 138464573
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one
CID 141370798

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone (CID 141265306) is [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone is Cc1cnc(N2CCN(C(=O)c3ccccc3C)CC2)c(C)c1.
What is the InChIKey of [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is MPNPMECHDLTIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-12-16(3)18(20-13-14)21-8-10-22(11-9-21)19(23)17-7-5-4-6-15(17)2/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone?
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 309.41 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 141265306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).