4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

C14H24N2O3 — CID 114680088

IUPAC4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC1CN(C(=O)C2CC(=O)N(C(C)C)C2)CCC1O
InChIInChI=1S/C14H24N2O3/c1-9(2)16-8-11(6-13(16)18)14(19)15-5-4-12(17)10(3)7-15/h9-12,17H,4-8H2,1-3H3
InChIKeyMESRJLYKCLOVQT-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.47
Rot. Bonds2

About 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 114680088) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID114680088
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC1CN(C(=O)C2CC(=O)N(C(C)C)C2)CCC1O
InChIInChI=1S/C14H24N2O3/c1-9(2)16-8-11(6-13(16)18)14(19)15-5-4-12(17)10(3)7-15/h9-12,17H,4-8H2,1-3H3
InChIKeyMESRJLYKCLOVQT-UHFFFAOYSA-N
XLogP0.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 103900931
4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 106671002
(4R)-4-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400875
4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 108754227
2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
CID 108564919
4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110888059
(4R)-4-[(2R)-2-methylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400779
azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone
CID 129380965
4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 110346177
1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552376
4-(dimethylsulfamoylamino)-1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidine
CID 108564907
5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551725

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (CID 114680088) is 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one is CC1CN(C(=O)C2CC(=O)N(C(C)C)C2)CCC1O.
What is the InChIKey of 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is MESRJLYKCLOVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9(2)16-8-11(6-13(16)18)14(19)15-5-4-12(17)10(3)7-15/h9-12,17H,4-8H2,1-3H3.
What are the key properties of 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 114680088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).