(4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone

C26H35N5O2 — CID 155551791

IUPAC(4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cncc(N3CCOCC3)n2)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H35N5O2/c32-26(31-10-6-22(7-11-31)18-21-4-2-1-3-5-21)23-8-12-29(13-9-23)24-19-27-20-25(28-24)30-14-16-33-17-15-30/h1-5,19-20,22-23H,6-18H2
InChIKeyRLPMFLVUAXGCAV-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.01
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone

(4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone (PubChem CID 155551791) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone
PubChem CID155551791
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name(4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cncc(N3CCOCC3)n2)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H35N5O2/c32-26(31-10-6-22(7-11-31)18-21-4-2-1-3-5-21)23-8-12-29(13-9-23)24-19-27-20-25(28-24)30-14-16-33-17-15-30/h1-5,19-20,22-23H,6-18H2
InChIKeyRLPMFLVUAXGCAV-UHFFFAOYSA-N
XLogP3.01
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone (CID 155551791) is (4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2cncc(N3CCOCC3)n2)CC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone?
The InChIKey is RLPMFLVUAXGCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c32-26(31-10-6-22(7-11-31)18-21-4-2-1-3-5-21)23-8-12-29(13-9-23)24-19-27-20-25(28-24)30-14-16-33-17-15-30/h1-5,19-20,22-23H,6-18H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone?
(4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone has a molecular weight of 449.60 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 155551791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).