1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one

C14H24N2O3 — CID 110921329

IUPAC1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one
SMILESCC(C)C(C(=O)N1CCC(O)CC1)N1CCCC1=O
InChIInChI=1S/C14H24N2O3/c1-10(2)13(16-7-3-4-12(16)18)14(19)15-8-5-11(17)6-9-15/h10-11,13,17H,3-9H2,1-2H3
InChIKeyKBFOEZRUEOOLIA-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.62
Rot. Bonds3

About 1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one

1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one (PubChem CID 110921329) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one
PubChem CID110921329
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one
SMILESCC(C)C(C(=O)N1CCC(O)CC1)N1CCCC1=O
InChIInChI=1S/C14H24N2O3/c1-10(2)13(16-7-3-4-12(16)18)14(19)15-8-5-11(17)6-9-15/h10-11,13,17H,3-9H2,1-2H3
InChIKeyKBFOEZRUEOOLIA-UHFFFAOYSA-N
XLogP0.62
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride
CID 119418070
1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one
CID 95302662
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide
CID 119389775
(2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 98730591
1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one
CID 97051473
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 128592950
N-(2-amino-2-methylpropyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119629967
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806
N-(2-ethyl-2-hydroxybutyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111463359
N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide
CID 47088898
1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one
CID 95776826

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one (CID 110921329) is 1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one is CC(C)C(C(=O)N1CCC(O)CC1)N1CCCC1=O.
What is the InChIKey of 1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one?
The InChIKey is KBFOEZRUEOOLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)13(16-7-3-4-12(16)18)14(19)15-8-5-11(17)6-9-15/h10-11,13,17H,3-9H2,1-2H3.
What are the key properties of 1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one?
1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 110921329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).