2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C23H27N3O3 — CID 8893050

IUPAC2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1)N1CCCC1
InChIInChI=1S/C23H27N3O3/c27-22(25-12-4-5-13-25)18-24-14-16-26(17-15-24)23(28)19-8-10-21(11-9-19)29-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-18H2
InChIKeyFTKJDWHIDXWURN-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.86
Rot. Bonds5

About 2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 8893050) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID8893050
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1)N1CCCC1
InChIInChI=1S/C23H27N3O3/c27-22(25-12-4-5-13-25)18-24-14-16-26(17-15-24)23(28)19-8-10-21(11-9-19)29-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-18H2
InChIKeyFTKJDWHIDXWURN-UHFFFAOYSA-N
XLogP2.86
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
1-[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 39980027
4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
CID 32693348
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833975
1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17401505
ethyl 4-(4-phenoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808983
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 8541477
1-(azepan-1-yl)-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 35610437
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 8893050) is 2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1)N1CCCC1.
What is the InChIKey of 2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is FTKJDWHIDXWURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-22(25-12-4-5-13-25)18-24-14-16-26(17-15-24)23(28)19-8-10-21(11-9-19)29-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-18H2.
What are the key properties of 2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 393.49 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 8893050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).