1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one

C18H24N2O4 — CID 91786053

IUPAC1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(CCN3CCCC3=O)CC2)o1
InChIInChI=1S/C18H24N2O4/c1-13-11-15(21)12-16(24-13)18(23)20-9-5-14(6-10-20)4-8-19-7-2-3-17(19)22/h11-12,14H,2-10H2,1H3
InChIKeyOYRYNHZAQARMPS-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.81
Rot. Bonds4

About 1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 91786053) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID91786053
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(CCN3CCCC3=O)CC2)o1
InChIInChI=1S/C18H24N2O4/c1-13-11-15(21)12-16(24-13)18(23)20-9-5-14(6-10-20)4-8-19-7-2-3-17(19)22/h11-12,14H,2-10H2,1H3
InChIKeyOYRYNHZAQARMPS-UHFFFAOYSA-N
XLogP1.81
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

7-isopropyl-2-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72879250
1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone
CID 142266390
1-[(5-methoxy-4-oxo-4H-pyran-2-yl)carbonyl]piperidine-4-carboxamide
CID 49655992
1-{1-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl]piperidin-4-yl}pyrrolidin-2-one
CID 56877977
7-(2-methoxyethyl)-2-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72853412
7-cyclohexyl-2-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72884086
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-6-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-4H-pyran-2-carboxamide
CID 72890788
7-cyclopentyl-2-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72895291
7-(cyclobutylmethyl)-2-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72935405
2-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72938618
7-(2-methoxyethyl)-2-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72939711
N,4-dimethyl-1-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]piperidine-4-carboxamide
CID 77090780

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 91786053) is 1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one is Cc1cc(=O)cc(C(=O)N2CCC(CCN3CCCC3=O)CC2)o1.
What is the InChIKey of 1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is OYRYNHZAQARMPS-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)4-8-19-7-2-3-17(19)22/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 91786053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).