1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone

C24H31N3O3 — CID 2912989

IUPAC1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCOc1ccccc1N1CCN(C2CCN(C(=O)COc3ccccc3)CC2)CC1
InChIInChI=1S/C24H31N3O3/c1-29-23-10-6-5-9-22(23)26-17-15-25(16-18-26)20-11-13-27(14-12-20)24(28)19-30-21-7-3-2-4-8-21/h2-10,20H,11-19H2,1H3
InChIKeyPFRROANZSXUUQI-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.89
Rot. Bonds6

About 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone

1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 2912989) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID2912989
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCOc1ccccc1N1CCN(C2CCN(C(=O)COc3ccccc3)CC2)CC1
InChIInChI=1S/C24H31N3O3/c1-29-23-10-6-5-9-22(23)26-17-15-25(16-18-26)20-11-13-27(14-12-20)24(28)19-30-21-7-3-2-4-8-21/h2-10,20H,11-19H2,1H3
InChIKeyPFRROANZSXUUQI-UHFFFAOYSA-N
XLogP2.89
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone (CID 2912989) is 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone is COc1ccccc1N1CCN(C2CCN(C(=O)COc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is PFRROANZSXUUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-29-23-10-6-5-9-22(23)26-17-15-25(16-18-26)20-11-13-27(14-12-20)24(28)19-30-21-7-3-2-4-8-21/h2-10,20H,11-19H2,1H3.
What are the key properties of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 409.53 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 2912989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).