1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone

C27H28N2O3 — CID 4226165

IUPAC1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone
SMILESCOc1ccc(OC)c(C(=O)CN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1
InChIInChI=1S/C27H28N2O3/c1-31-19-11-12-26(32-2)24(17-19)25(30)18-28-13-15-29(16-14-28)27-22-9-5-3-7-20(22)21-8-4-6-10-23(21)27/h3-12,17,27H,13-16,18H2,1-2H3
InChIKeyNSYVVBPCSULJGQ-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.27
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone

1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone (PubChem CID 4226165) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone
PubChem CID4226165
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone
SMILESCOc1ccc(OC)c(C(=O)CN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1
InChIInChI=1S/C27H28N2O3/c1-31-19-11-12-26(32-2)24(17-19)25(30)18-28-13-15-29(16-14-28)27-22-9-5-3-7-20(22)21-8-4-6-10-23(21)27/h3-12,17,27H,13-16,18H2,1-2H3
InChIKeyNSYVVBPCSULJGQ-UHFFFAOYSA-N
XLogP4.27
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone
CID 4226169
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-phenylethanone
CID 2814694
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
2-(aziridin-1-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 94685963
4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid
CID 82052295
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone
CID 2815524
2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 17471888
1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
CID 10836668
1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777985

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone (CID 4226165) is 1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone is COc1ccc(OC)c(C(=O)CN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone?
The InChIKey is NSYVVBPCSULJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-31-19-11-12-26(32-2)24(17-19)25(30)18-28-13-15-29(16-14-28)27-22-9-5-3-7-20(22)21-8-4-6-10-23(21)27/h3-12,17,27H,13-16,18H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone?
1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone has a molecular weight of 428.53 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 4226165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).