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

C18H24N6O2 — CID 53172087

IUPAC(3-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
SMILESCC1CCCN(C(=O)c2cn(-c3cc(N4CCOCC4)ncn3)cn2)C1
InChIInChI=1S/C18H24N6O2/c1-14-3-2-4-23(10-14)18(25)15-11-24(13-21-15)17-9-16(19-12-20-17)22-5-7-26-8-6-22/h9,11-14H,2-8,10H2,1H3
InChIKeyULRWRNRMOQJWOG-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.37
Rot. Bonds3

About (3-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone

(3-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone (PubChem CID 53172087) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
PubChem CID53172087
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name(3-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
SMILESCC1CCCN(C(=O)c2cn(-c3cc(N4CCOCC4)ncn3)cn2)C1
InChIInChI=1S/C18H24N6O2/c1-14-3-2-4-23(10-14)18(25)15-11-24(13-21-15)17-9-16(19-12-20-17)22-5-7-26-8-6-22/h9,11-14H,2-8,10H2,1H3
InChIKeyULRWRNRMOQJWOG-UHFFFAOYSA-N
XLogP1.37
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone (CID 53172087) is (3-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone is CC1CCCN(C(=O)c2cn(-c3cc(N4CCOCC4)ncn3)cn2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
The InChIKey is ULRWRNRMOQJWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-14-3-2-4-23(10-14)18(25)15-11-24(13-21-15)17-9-16(19-12-20-17)22-5-7-26-8-6-22/h9,11-14H,2-8,10H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
(3-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone is sourced from PubChem (CID 53172087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).