[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

C25H34N6O2 — CID 155540382

IUPAC[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C25H34N6O2/c32-25(31-8-3-20(4-9-31)16-21-2-1-7-26-18-21)22-5-10-29(11-6-22)23-17-24(28-19-27-23)30-12-14-33-15-13-30/h1-2,7,17-20,22H,3-6,8-16H2
InChIKeyDZHYCRXMOWMGQM-UHFFFAOYSA-N
MW450.59 g/mol
LogP2.41
Rot. Bonds5

About [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 155540382) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID155540382
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC Name[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C25H34N6O2/c32-25(31-8-3-20(4-9-31)16-21-2-1-7-26-18-21)22-5-10-29(11-6-22)23-17-24(28-19-27-23)30-12-14-33-15-13-30/h1-2,7,17-20,22H,3-6,8-16H2
InChIKeyDZHYCRXMOWMGQM-UHFFFAOYSA-N
XLogP2.41
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (CID 155540382) is [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is O=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCC(Cc2cccnc2)CC1.
What is the InChIKey of [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is DZHYCRXMOWMGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2/c32-25(31-8-3-20(4-9-31)16-21-2-1-7-26-18-21)22-5-10-29(11-6-22)23-17-24(28-19-27-23)30-12-14-33-15-13-30/h1-2,7,17-20,22H,3-6,8-16H2.
What are the key properties of [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 450.59 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 155540382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).