[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone

C26H26ClN5O2 — CID 50835137

IUPAC[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(c2ncnc3c2oc2ccccc23)CC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H26ClN5O2/c27-19-5-7-20(8-6-19)30-13-15-32(16-14-30)26(33)18-9-11-31(12-10-18)25-24-23(28-17-29-25)21-3-1-2-4-22(21)34-24/h1-8,17-18H,9-16H2
InChIKeyKSTBKOJPGLXWEP-UHFFFAOYSA-N
MW475.98 g/mol
LogP4.59
Rot. Bonds3

About [1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone

[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 50835137) has the molecular formula C26H26ClN5O2 and a molecular weight of 475.98 g/mol. Its IUPAC name is [1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
PubChem CID50835137
Molecular FormulaC26H26ClN5O2
Molecular Weight475.98 g/mol
Exact Mass475.18
IUPAC Name[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(c2ncnc3c2oc2ccccc23)CC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H26ClN5O2/c27-19-5-7-20(8-6-19)30-13-15-32(16-14-30)26(33)18-9-11-31(12-10-18)25-24-23(28-17-29-25)21-3-1-2-4-22(21)34-24/h1-8,17-18H,9-16H2
InChIKeyKSTBKOJPGLXWEP-UHFFFAOYSA-N
XLogP4.59
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone (CID 50835137) is [1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone is O=C(C1CCN(c2ncnc3c2oc2ccccc23)CC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is KSTBKOJPGLXWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O2/c27-19-5-7-20(8-6-19)30-13-15-32(16-14-30)26(33)18-9-11-31(12-10-18)25-24-23(28-17-29-25)21-3-1-2-4-22(21)34-24/h1-8,17-18H,9-16H2.
What are the key properties of [1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 475.98 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 50835137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).