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

C21H33N5O — CID 53170408

IUPAC(4-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(c3cc(N4CCCCC4)ncn3)CC2)CC1
InChIInChI=1S/C21H33N5O/c1-17-5-11-26(12-6-17)21(27)18-7-13-25(14-8-18)20-15-19(22-16-23-20)24-9-3-2-4-10-24/h15-18H,2-14H2,1H3
InChIKeyZUZDQLXFTUWJFX-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.94
Rot. Bonds3

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

(4-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 53170408) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID53170408
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name(4-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(c3cc(N4CCCCC4)ncn3)CC2)CC1
InChIInChI=1S/C21H33N5O/c1-17-5-11-26(12-6-17)21(27)18-7-13-25(14-8-18)20-15-19(22-16-23-20)24-9-3-2-4-10-24/h15-18H,2-14H2,1H3
InChIKeyZUZDQLXFTUWJFX-UHFFFAOYSA-N
XLogP2.94
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 53170408) is (4-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone is CC1CCN(C(=O)C2CCN(c3cc(N4CCCCC4)ncn3)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is ZUZDQLXFTUWJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-17-5-11-26(12-6-17)21(27)18-7-13-25(14-8-18)20-15-19(22-16-23-20)24-9-3-2-4-10-24/h15-18H,2-14H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 371.53 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 53170408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).