cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone

C20H28N2O3 — CID 110801028

IUPACcyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1C
InChIInChI=1S/C20H28N2O3/c1-15-14-17(8-9-18(15)25-2)20(24)22-12-10-21(11-13-22)19(23)16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3
InChIKeyYWFHTWWZJGHZPK-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.87
Rot. Bonds3

About cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone

cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone (PubChem CID 110801028) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
PubChem CID110801028
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Namecyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1C
InChIInChI=1S/C20H28N2O3/c1-15-14-17(8-9-18(15)25-2)20(24)22-12-10-21(11-13-22)19(23)16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3
InChIKeyYWFHTWWZJGHZPK-UHFFFAOYSA-N
XLogP2.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38391613
[4-(4-methoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 137338460
cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801032
[4-(1,3-dithiane-2-carbonyl)piperazin-1-yl]-[1-(4-methoxy-3-methylbenzoyl)piperidin-3-yl]methanone
CID 155965535
1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
cyclopentyl-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807493
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
(4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 121187072

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone (CID 110801028) is cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1C.
What is the InChIKey of cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is YWFHTWWZJGHZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15-14-17(8-9-18(15)25-2)20(24)22-12-10-21(11-13-22)19(23)16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3.
What are the key properties of cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 344.45 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110801028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).