6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one

C22H27NO4 — CID 90629096

IUPAC6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one
SMILESCc1cc(OC2CCN(C(=O)CCCCc3ccccc3)CC2)cc(=O)o1
InChIInChI=1S/C22H27NO4/c1-17-15-20(16-22(25)26-17)27-19-11-13-23(14-12-19)21(24)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,15-16,19H,5-6,9-14H2,1H3
InChIKeyLMGGYSHNPFVWCQ-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.73
Rot. Bonds7

About 6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one

6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one (PubChem CID 90629096) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one.

Molecular Properties

Compound Name6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one
PubChem CID90629096
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one
SMILESCc1cc(OC2CCN(C(=O)CCCCc3ccccc3)CC2)cc(=O)o1
InChIInChI=1S/C22H27NO4/c1-17-15-20(16-22(25)26-17)27-19-11-13-23(14-12-19)21(24)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,15-16,19H,5-6,9-14H2,1H3
InChIKeyLMGGYSHNPFVWCQ-UHFFFAOYSA-N
XLogP3.73
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90629205
benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate
CID 90629153
4-[1-[3-(4-bromophenyl)propanoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628629
4-[1-[3-(4-chloro-3-fluorophenyl)propanoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629053
6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one
CID 90629092
4-[1-[3-(5-bromo-2-methoxyphenyl)propanoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629033
6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one
CID 129410643
2,6-dichloro-N-[3-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 90629015
4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one
CID 71801294
4-[1-(4-butoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628996
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one?
The IUPAC name of 6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one (CID 90629096) is 6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one.
What is the SMILES notation for 6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one?
The canonical SMILES for 6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one is Cc1cc(OC2CCN(C(=O)CCCCc3ccccc3)CC2)cc(=O)o1.
What is the InChIKey of 6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one?
The InChIKey is LMGGYSHNPFVWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-17-15-20(16-22(25)26-17)27-19-11-13-23(14-12-19)21(24)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,15-16,19H,5-6,9-14H2,1H3.
What are the key properties of 6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one?
6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one has a molecular weight of 369.46 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one is sourced from PubChem (CID 90629096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).