phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone

C21H24N2O5 — CID 1010280

IUPACphenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H24N2O5/c1-26-17-13-16(14-18(27-2)19(17)28-3)21(25)23-11-9-22(10-12-23)20(24)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3
InChIKeyBIAZTXYRCOOQTL-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.31
Rot. Bonds5

About phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone

phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 1010280) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
PubChem CID1010280
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namephenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H24N2O5/c1-26-17-13-16(14-18(27-2)19(17)28-3)21(25)23-11-9-22(10-12-23)20(24)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3
InChIKeyBIAZTXYRCOOQTL-UHFFFAOYSA-N
XLogP2.31
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116501
oxalic acid;[4-(3-phenylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 2927354
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;oxalic acid
CID 126476310
(4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 1148012
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
[4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 28760
phenyl-[4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazin-1-yl]methanone
CID 18546829

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone (CID 1010280) is phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1OC.
What is the InChIKey of phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is BIAZTXYRCOOQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-17-13-16(14-18(27-2)19(17)28-3)21(25)23-11-9-22(10-12-23)20(24)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone?
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 384.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1010280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).