5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one

C19H26N4O2 — CID 90653707

IUPAC5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one
SMILESC=CCN1CC(C(=O)N2CCC(c3ccnc(C)n3)CC2)CCC1=O
InChIInChI=1S/C19H26N4O2/c1-3-10-23-13-16(4-5-18(23)24)19(25)22-11-7-15(8-12-22)17-6-9-20-14(2)21-17/h3,6,9,15-16H,1,4-5,7-8,10-13H2,2H3
InChIKeyVKTRSOOHBSIBRO-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.92
Rot. Bonds4

About 5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one

5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one (PubChem CID 90653707) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one
PubChem CID90653707
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one
SMILESC=CCN1CC(C(=O)N2CCC(c3ccnc(C)n3)CC2)CCC1=O
InChIInChI=1S/C19H26N4O2/c1-3-10-23-13-16(4-5-18(23)24)19(25)22-11-7-15(8-12-22)17-6-9-20-14(2)21-17/h3,6,9,15-16H,1,4-5,7-8,10-13H2,2H3
InChIKeyVKTRSOOHBSIBRO-UHFFFAOYSA-N
XLogP1.92
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one?
The IUPAC name of 5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one (CID 90653707) is 5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one.
What is the SMILES notation for 5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one?
The canonical SMILES for 5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one is C=CCN1CC(C(=O)N2CCC(c3ccnc(C)n3)CC2)CCC1=O.
What is the InChIKey of 5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one?
The InChIKey is VKTRSOOHBSIBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-10-23-13-16(4-5-18(23)24)19(25)22-11-7-15(8-12-22)17-6-9-20-14(2)21-17/h3,6,9,15-16H,1,4-5,7-8,10-13H2,2H3.
What are the key properties of 5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one?
5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 90653707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).