[4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

C25H42N6O2 — CID 155511284

IUPAC[4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCCN(CC)CCC1CCN(C(=O)C2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1
InChIInChI=1S/C25H42N6O2/c1-3-28(4-2)10-5-21-6-11-31(12-7-21)25(32)22-8-13-29(14-9-22)23-19-24(27-20-26-23)30-15-17-33-18-16-30/h19-22H,3-18H2,1-2H3
InChIKeyCLXWDJACDODLJU-UHFFFAOYSA-N
MW458.65 g/mol
LogP2.50
Rot. Bonds8

About [4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

[4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 155511284) has the molecular formula C25H42N6O2 and a molecular weight of 458.65 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID155511284
Molecular FormulaC25H42N6O2
Molecular Weight458.65 g/mol
Exact Mass458.34
IUPAC Name[4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCCN(CC)CCC1CCN(C(=O)C2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1
InChIInChI=1S/C25H42N6O2/c1-3-28(4-2)10-5-21-6-11-31(12-7-21)25(32)22-8-13-29(14-9-22)23-19-24(27-20-26-23)30-15-17-33-18-16-30/h19-22H,3-18H2,1-2H3
InChIKeyCLXWDJACDODLJU-UHFFFAOYSA-N
XLogP2.50
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.65
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 155511284) is [4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is CCN(CC)CCC1CCN(C(=O)C2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1.
What is the InChIKey of [4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is CLXWDJACDODLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N6O2/c1-3-28(4-2)10-5-21-6-11-31(12-7-21)25(32)22-8-13-29(14-9-22)23-19-24(27-20-26-23)30-15-17-33-18-16-30/h19-22H,3-18H2,1-2H3.
What are the key properties of [4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
[4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 458.65 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 155511284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).