[5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone

C23H23N3O2 — CID 109182693

IUPAC[5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccccc2Oc2ccccc2)cn1)N1CCCCC1
InChIInChI=1S/C23H23N3O2/c27-23(26-15-7-2-8-16-26)21-14-13-18(17-24-21)25-20-11-5-6-12-22(20)28-19-9-3-1-4-10-19/h1,3-6,9-14,17,25H,2,7-8,15-16H2
InChIKeyOOLZYHXWGOJWTD-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.24
Rot. Bonds5

About [5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone

[5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109182693) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is [5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109182693
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name[5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccccc2Oc2ccccc2)cn1)N1CCCCC1
InChIInChI=1S/C23H23N3O2/c27-23(26-15-7-2-8-16-26)21-14-13-18(17-24-21)25-20-11-5-6-12-22(20)28-19-9-3-1-4-10-19/h1,3-6,9-14,17,25H,2,7-8,15-16H2
InChIKeyOOLZYHXWGOJWTD-UHFFFAOYSA-N
XLogP5.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone
CID 109241297
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193419
(4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone
CID 109278224
ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194157
azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
CID 109196793
ethyl 4-[5-(2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194154
[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182712
azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone
CID 109196768
azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642343

Frequently Asked Questions

What is the IUPAC name of [5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone (CID 109182693) is [5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone is O=C(c1ccc(Nc2ccccc2Oc2ccccc2)cn1)N1CCCCC1.
What is the InChIKey of [5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is OOLZYHXWGOJWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-23(26-15-7-2-8-16-26)21-14-13-18(17-24-21)25-20-11-5-6-12-22(20)28-19-9-3-1-4-10-19/h1,3-6,9-14,17,25H,2,7-8,15-16H2.
What are the key properties of [5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
[5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 373.46 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109182693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).