1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one

C19H26N2O2 — CID 56730517

IUPAC1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
SMILESCC1CCN(C(=O)C2CCC(=O)N(C)C2c2ccccc2)CC1
InChIInChI=1S/C19H26N2O2/c1-14-10-12-21(13-11-14)19(23)16-8-9-17(22)20(2)18(16)15-6-4-3-5-7-15/h3-7,14,16,18H,8-13H2,1-2H3
InChIKeyYTNXYLXLWYJVGV-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.85
Rot. Bonds2

About 1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one

1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one (PubChem CID 56730517) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
PubChem CID56730517
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
SMILESCC1CCN(C(=O)C2CCC(=O)N(C)C2c2ccccc2)CC1
InChIInChI=1S/C19H26N2O2/c1-14-10-12-21(13-11-14)19(23)16-8-9-17(22)20(2)18(16)15-6-4-3-5-7-15/h3-7,14,16,18H,8-13H2,1-2H3
InChIKeyYTNXYLXLWYJVGV-UHFFFAOYSA-N
XLogP2.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one?
The IUPAC name of 1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one (CID 56730517) is 1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one.
What is the SMILES notation for 1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one?
The canonical SMILES for 1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one is CC1CCN(C(=O)C2CCC(=O)N(C)C2c2ccccc2)CC1.
What is the InChIKey of 1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one?
The InChIKey is YTNXYLXLWYJVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-10-12-21(13-11-14)19(23)16-8-9-17(22)20(2)18(16)15-6-4-3-5-7-15/h3-7,14,16,18H,8-13H2,1-2H3.
What are the key properties of 1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one?
1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one is sourced from PubChem (CID 56730517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).