(4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

C20H31N5O2 — CID 155563468

IUPAC(4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1
InChIInChI=1S/C20H31N5O2/c1-16-2-6-25(7-3-16)20(26)17-4-8-23(9-5-17)18-14-19(22-15-21-18)24-10-12-27-13-11-24/h14-17H,2-13H2,1H3
InChIKeyXSVTUNRKHXJQCG-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.79
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 155563468) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID155563468
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name(4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1
InChIInChI=1S/C20H31N5O2/c1-16-2-6-25(7-3-16)20(26)17-4-8-23(9-5-17)18-14-19(22-15-21-18)24-10-12-27-13-11-24/h14-17H,2-13H2,1H3
InChIKeyXSVTUNRKHXJQCG-UHFFFAOYSA-N
XLogP1.79
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 155563468) is (4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is CC1CCN(C(=O)C2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is XSVTUNRKHXJQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-16-2-6-25(7-3-16)20(26)17-4-8-23(9-5-17)18-14-19(22-15-21-18)24-10-12-27-13-11-24/h14-17H,2-13H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 373.50 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 155563468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).