[4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone

C25H24N2O3 — CID 659991

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C25H24N2O3/c1-29-23-13-7-4-10-20(23)26-14-16-27(17-15-26)25(28)24-18-8-2-5-11-21(18)30-22-12-6-3-9-19(22)24/h2-13,24H,14-17H2,1H3
InChIKeyYPWSVFOXVRZRPQ-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.28
Rot. Bonds3

About [4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone (PubChem CID 659991) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
PubChem CID659991
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C25H24N2O3/c1-29-23-13-7-4-10-20(23)26-14-16-27(17-15-26)25(28)24-18-8-2-5-11-21(18)30-22-12-6-3-9-19(22)24/h2-13,24H,14-17H2,1H3
InChIKeyYPWSVFOXVRZRPQ-UHFFFAOYSA-N
XLogP4.28
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone (CID 659991) is [4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone is COc1ccccc1N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone?
The InChIKey is YPWSVFOXVRZRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-29-23-13-7-4-10-20(23)26-14-16-27(17-15-26)25(28)24-18-8-2-5-11-21(18)30-22-12-6-3-9-19(22)24/h2-13,24H,14-17H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone has a molecular weight of 400.48 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 659991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).