5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C11H18N2O3 — CID 43572839

IUPAC5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCC2CO)N1
InChIInChI=1S/C11H18N2O3/c14-7-8-3-1-2-6-13(8)11(16)9-4-5-10(15)12-9/h8-9,14H,1-7H2,(H,12,15)
InChIKeyONHUQCGEEAEYIJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.36
Rot. Bonds2

About 5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one

5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 43572839) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID43572839
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCC2CO)N1
InChIInChI=1S/C11H18N2O3/c14-7-8-3-1-2-6-13(8)11(16)9-4-5-10(15)12-9/h8-9,14H,1-7H2,(H,12,15)
InChIKeyONHUQCGEEAEYIJ-UHFFFAOYSA-N
XLogP-0.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94885599
(5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 114039546
(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95351095
4-[2-(hydroxymethyl)azepane-1-carbonyl]pyrrolidin-2-one
CID 116636786
(2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 66264258
4-[2-(hydroxymethyl)azepane-1-carbonyl]-1,3-thiazolidin-2-one
CID 116636142
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634620
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
(5R)-5-[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240250
(5R)-5-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240252

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 43572839) is 5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one is O=C1CCC(C(=O)N2CCCCC2CO)N1.
What is the InChIKey of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ONHUQCGEEAEYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-7-8-3-1-2-6-13(8)11(16)9-4-5-10(15)12-9/h8-9,14H,1-7H2,(H,12,15).
What are the key properties of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 226.28 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 43572839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).