(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone

C24H22N2O3 — CID 45178915

IUPAC(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)C1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C24H22N2O3/c27-23(18-8-10-22(11-9-18)29-21-6-2-1-3-7-21)20-5-4-16-26(17-20)24(28)19-12-14-25-15-13-19/h1-3,6-15,20H,4-5,16-17H2
InChIKeyDFXOFXXOCZILOK-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.61
Rot. Bonds5

About (4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone

(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone (PubChem CID 45178915) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is (4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
PubChem CID45178915
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)C1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C24H22N2O3/c27-23(18-8-10-22(11-9-18)29-21-6-2-1-3-7-21)20-5-4-16-26(17-20)24(28)19-12-14-25-15-13-19/h1-3,6-15,20H,4-5,16-17H2
InChIKeyDFXOFXXOCZILOK-UHFFFAOYSA-N
XLogP4.61
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42094086
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
CID 18159127
[(3S)-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 42147812
5-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95728552
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
2-methylsulfanyl-1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 42306399
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45243380
1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 45241198

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone (CID 45178915) is (4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone is O=C(c1ccc(Oc2ccccc2)cc1)C1CCCN(C(=O)c2ccncc2)C1.
What is the InChIKey of (4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
The InChIKey is DFXOFXXOCZILOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-23(18-8-10-22(11-9-18)29-21-6-2-1-3-7-21)20-5-4-16-26(17-20)24(28)19-12-14-25-15-13-19/h1-3,6-15,20H,4-5,16-17H2.
What are the key properties of (4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone has a molecular weight of 386.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 45178915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).