6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one

C17H20N2O4 — CID 90629092

IUPAC6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one
SMILESCc1cc(OC2CCN(C(=O)Cn3cccc3)CC2)cc(=O)o1
InChIInChI=1S/C17H20N2O4/c1-13-10-15(11-17(21)22-13)23-14-4-8-19(9-5-14)16(20)12-18-6-2-3-7-18/h2-3,6-7,10-11,14H,4-5,8-9,12H2,1H3
InChIKeyPFHRWJOTWHNXTF-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.82
Rot. Bonds4

About 6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one

6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one (PubChem CID 90629092) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one.

Molecular Properties

Compound Name6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one
PubChem CID90629092
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one
SMILESCc1cc(OC2CCN(C(=O)Cn3cccc3)CC2)cc(=O)o1
InChIInChI=1S/C17H20N2O4/c1-13-10-15(11-17(21)22-13)23-14-4-8-19(9-5-14)16(20)12-18-6-2-3-7-18/h2-3,6-7,10-11,14H,4-5,8-9,12H2,1H3
InChIKeyPFHRWJOTWHNXTF-UHFFFAOYSA-N
XLogP1.82
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one
CID 90629096
4-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628984
benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate
CID 90629153
4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628717
4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629179
4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628983
4-[1-(4-butoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628996
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-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629098
4-[1-[3-(5-bromo-2-methoxyphenyl)propanoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629033
4-[1-[3-(4-chloro-3-fluorophenyl)propanoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629053

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one?
The IUPAC name of 6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one (CID 90629092) is 6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one.
What is the SMILES notation for 6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one?
The canonical SMILES for 6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one is Cc1cc(OC2CCN(C(=O)Cn3cccc3)CC2)cc(=O)o1.
What is the InChIKey of 6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one?
The InChIKey is PFHRWJOTWHNXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-13-10-15(11-17(21)22-13)23-14-4-8-19(9-5-14)16(20)12-18-6-2-3-7-18/h2-3,6-7,10-11,14H,4-5,8-9,12H2,1H3.
What are the key properties of 6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one?
6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one has a molecular weight of 316.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one is sourced from PubChem (CID 90629092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).