2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one

C18H24N2O4 — CID 86286476

IUPAC2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)o1
InChIInChI=1S/C18H24N2O4/c1-13-11-15(21)12-16(24-13)18(23)20-9-5-14(6-10-20)17(22)19-7-3-2-4-8-19/h11-12,14H,2-10H2,1H3
InChIKeyGJHFJOSYRTWDPJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.81
Rot. Bonds2

About 2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one

2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one (PubChem CID 86286476) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one.

Molecular Properties

Compound Name2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one
PubChem CID86286476
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)o1
InChIInChI=1S/C18H24N2O4/c1-13-11-15(21)12-16(24-13)18(23)20-9-5-14(6-10-20)17(22)19-7-3-2-4-8-19/h11-12,14H,2-10H2,1H3
InChIKeyGJHFJOSYRTWDPJ-UHFFFAOYSA-N
XLogP1.81
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one?
The IUPAC name of 2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one (CID 86286476) is 2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one.
What is the SMILES notation for 2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one?
The canonical SMILES for 2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one is Cc1cc(=O)cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)o1.
What is the InChIKey of 2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one?
The InChIKey is GJHFJOSYRTWDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13-11-15(21)12-16(24-13)18(23)20-9-5-14(6-10-20)17(22)19-7-3-2-4-8-19/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one?
2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one has a molecular weight of 332.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyran-4-one is sourced from PubChem (CID 86286476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).