4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide

C22H22N4O2 — CID 122298612

IUPAC4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H22N4O2/c27-21(17-9-11-20(12-10-17)28-19-7-3-1-4-8-19)25-18-15-23-22(24-16-18)26-13-5-2-6-14-26/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,25,27)
InChIKeySDKGUHACMYZTRQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.51
Rot. Bonds5

About 4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide

4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 122298612) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID122298612
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H22N4O2/c27-21(17-9-11-20(12-10-17)28-19-7-3-1-4-8-19)25-18-15-23-22(24-16-18)26-13-5-2-6-14-26/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,25,27)
InChIKeySDKGUHACMYZTRQ-UHFFFAOYSA-N
XLogP4.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (CID 122298612) is 4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is O=C(Nc1cnc(N2CCCCC2)nc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is SDKGUHACMYZTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(17-9-11-20(12-10-17)28-19-7-3-1-4-8-19)25-18-15-23-22(24-16-18)26-13-5-2-6-14-26/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,25,27).
What are the key properties of 4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 122298612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).