[4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone

C21H24N2O4 — CID 110802050

IUPAC[4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c(OC)cc1C
InChIInChI=1S/C21H24N2O4/c1-15-13-19(27-3)17(14-18(15)26-2)21(25)23-11-9-22(10-12-23)20(24)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3
InChIKeyGVGBCBOLNPOXJX-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.61
Rot. Bonds4

About [4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone

[4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone (PubChem CID 110802050) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone
PubChem CID110802050
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c(OC)cc1C
InChIInChI=1S/C21H24N2O4/c1-15-13-19(27-3)17(14-18(15)26-2)21(25)23-11-9-22(10-12-23)20(24)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3
InChIKeyGVGBCBOLNPOXJX-UHFFFAOYSA-N
XLogP2.61
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31363177
[4-(2-methoxy-4,5-dimethylbenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110802901
[4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803086
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 110802816
1,4-diazepan-1-yl-(2,5-dimethoxy-4-methylphenyl)methanone
CID 95482231
(3-fluorophenyl)-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802324
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802032
(4-chlorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110802853

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone (CID 110802050) is [4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone is COc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c(OC)cc1C.
What is the InChIKey of [4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is GVGBCBOLNPOXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-13-19(27-3)17(14-18(15)26-2)21(25)23-11-9-22(10-12-23)20(24)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of [4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
[4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 368.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 110802050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).