[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone

C18H19N3O2 — CID 84513805

IUPAC[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)c1
InChIInChI=1S/C18H19N3O2/c1-14-3-2-4-16(13-14)18(23)21-11-9-20(10-12-21)17(22)15-5-7-19-8-6-15/h2-8,13H,9-12H2,1H3
InChIKeyQXPCEMLIYZQDJG-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.99
Rot. Bonds2

About [4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone

[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 84513805) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is [4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID84513805
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)c1
InChIInChI=1S/C18H19N3O2/c1-14-3-2-4-16(13-14)18(23)21-11-9-20(10-12-21)17(22)15-5-7-19-8-6-15/h2-8,13H,9-12H2,1H3
InChIKeyQXPCEMLIYZQDJG-UHFFFAOYSA-N
XLogP1.99
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
(3-methylphenyl)-[4-[(1R)-1-pyridin-4-ylethyl]-1,4-diazepan-1-yl]methanone
CID 95621591
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
(3-bromophenyl)-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 38462694

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone (CID 84513805) is [4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone is Cc1cccc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)c1.
What is the InChIKey of [4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is QXPCEMLIYZQDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-14-3-2-4-16(13-14)18(23)21-11-9-20(10-12-21)17(22)15-5-7-19-8-6-15/h2-8,13H,9-12H2,1H3.
What are the key properties of [4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 309.37 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 84513805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).