(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone

C23H21N3O3 — CID 71944089

IUPAC(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C23H21N3O3/c27-22(18-6-8-21(9-7-18)29-20-4-2-1-3-5-20)25-14-16-26(17-15-25)23(28)19-10-12-24-13-11-19/h1-13H,14-17H2
InChIKeyBMLGOUPYAQFCLS-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.47
Rot. Bonds4

About (4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone

(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 71944089) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is (4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
PubChem CID71944089
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C23H21N3O3/c27-22(18-6-8-21(9-7-18)29-20-4-2-1-3-5-20)25-14-16-26(17-15-25)23(28)19-10-12-24-13-11-19/h1-13H,14-17H2
InChIKeyBMLGOUPYAQFCLS-UHFFFAOYSA-N
XLogP3.47
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
1-[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 39980027
2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one
CID 52573410
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 86275091
(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 24517801
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 55584193
2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 8893050
ethyl 4-(4-phenoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808983
[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 122332488

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone (CID 71944089) is (4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone is O=C(c1ccncc1)N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of (4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is BMLGOUPYAQFCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-22(18-6-8-21(9-7-18)29-20-4-2-1-3-5-20)25-14-16-26(17-15-25)23(28)19-10-12-24-13-11-19/h1-13H,14-17H2.
What are the key properties of (4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone?
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 387.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71944089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).