morpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone

C23H26N4O2S — CID 95830655

IUPACmorpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone
SMILESO=C(c1sc2ccccc2c1C[C@H]1CCCCN1c1ncccn1)N1CCOCC1
InChIInChI=1S/C23H26N4O2S/c28-22(26-12-14-29-15-13-26)21-19(18-7-1-2-8-20(18)30-21)16-17-6-3-4-11-27(17)23-24-9-5-10-25-23/h1-2,5,7-10,17H,3-4,6,11-16H2/t17-/m1/s1
InChIKeySILNDDJPUZXCPH-QGZVFWFLSA-N
MW422.55 g/mol
LogP3.77
Rot. Bonds4

About morpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone

morpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone (PubChem CID 95830655) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is morpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone
PubChem CID95830655
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Namemorpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone
SMILESO=C(c1sc2ccccc2c1C[C@H]1CCCCN1c1ncccn1)N1CCOCC1
InChIInChI=1S/C23H26N4O2S/c28-22(26-12-14-29-15-13-26)21-19(18-7-1-2-8-20(18)30-21)16-17-6-3-4-11-27(17)23-24-9-5-10-25-23/h1-2,5,7-10,17H,3-4,6,11-16H2/t17-/m1/s1
InChIKeySILNDDJPUZXCPH-QGZVFWFLSA-N
XLogP3.77
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone (CID 95830655) is morpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone is O=C(c1sc2ccccc2c1C[C@H]1CCCCN1c1ncccn1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone?
The InChIKey is SILNDDJPUZXCPH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N4O2S/c28-22(26-12-14-29-15-13-26)21-19(18-7-1-2-8-20(18)30-21)16-17-6-3-4-11-27(17)23-24-9-5-10-25-23/h1-2,5,7-10,17H,3-4,6,11-16H2/t17-/m1/s1.
What are the key properties of morpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone?
morpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone has a molecular weight of 422.55 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone is sourced from PubChem (CID 95830655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).