(2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone

C20H28N6O — CID 90520223

IUPAC(2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCCC1CCCCN1C(=O)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C20H28N6O/c1-2-17-5-3-4-9-26(17)20(27)16-6-10-24(11-7-16)18-13-19(23-14-22-18)25-12-8-21-15-25/h8,12-17H,2-7,9-11H2,1H3
InChIKeyYZQYAVCKLOLJDO-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.67
Rot. Bonds4

About (2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone

(2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 90520223) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID90520223
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name(2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCCC1CCCCN1C(=O)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C20H28N6O/c1-2-17-5-3-4-9-26(17)20(27)16-6-10-24(11-7-16)18-13-19(23-14-22-18)25-12-8-21-15-25/h8,12-17H,2-7,9-11H2,1H3
InChIKeyYZQYAVCKLOLJDO-UHFFFAOYSA-N
XLogP2.67
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 90520223) is (2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone is CCC1CCCCN1C(=O)C1CCN(c2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is YZQYAVCKLOLJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-2-17-5-3-4-9-26(17)20(27)16-6-10-24(11-7-16)18-13-19(23-14-22-18)25-12-8-21-15-25/h8,12-17H,2-7,9-11H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
(2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 368.49 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 90520223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).