pyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone

C22H22N4O — CID 134802935

IUPACpyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCN(Cc2ccccc2-c2cccnc2)CC1
InChIInChI=1S/C22H22N4O/c27-22(21-9-3-4-11-24-21)26-14-12-25(13-15-26)17-19-6-1-2-8-20(19)18-7-5-10-23-16-18/h1-11,16H,12-15,17H2
InChIKeyDROYPAQVKBRXJP-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.10
Rot. Bonds4

About pyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone

pyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 134802935) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is pyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID134802935
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Namepyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCN(Cc2ccccc2-c2cccnc2)CC1
InChIInChI=1S/C22H22N4O/c27-22(21-9-3-4-11-24-21)26-14-12-25(13-15-26)17-19-6-1-2-8-20(19)18-7-5-10-23-16-18/h1-11,16H,12-15,17H2
InChIKeyDROYPAQVKBRXJP-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of pyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone (CID 134802935) is pyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for pyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccccn1)N1CCN(Cc2ccccc2-c2cccnc2)CC1.
What is the InChIKey of pyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is DROYPAQVKBRXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-22(21-9-3-4-11-24-21)26-14-12-25(13-15-26)17-19-6-1-2-8-20(19)18-7-5-10-23-16-18/h1-11,16H,12-15,17H2.
What are the key properties of pyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone?
pyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 358.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 134802935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).