5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one

C10H15N3O3 — CID 138467692

IUPAC5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one
SMILESCn1c(CO)cn(C2CCC(=O)NC2)c1=O
InChIInChI=1S/C10H15N3O3/c1-12-8(6-14)5-13(10(12)16)7-2-3-9(15)11-4-7/h5,7,14H,2-4,6H2,1H3,(H,11,15)
InChIKeyIIRGSESRRVVHCD-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.87
Rot. Bonds2

About 5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one

5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one (PubChem CID 138467692) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one
PubChem CID138467692
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one
SMILESCn1c(CO)cn(C2CCC(=O)NC2)c1=O
InChIInChI=1S/C10H15N3O3/c1-12-8(6-14)5-13(10(12)16)7-2-3-9(15)11-4-7/h5,7,14H,2-4,6H2,1H3,(H,11,15)
InChIKeyIIRGSESRRVVHCD-UHFFFAOYSA-N
XLogP-0.87
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(chloromethyl)imidazol-1-yl]piperidin-2-one
CID 66151059
2-[[4-(6-oxopiperidin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 63661778
2-[1-(6-oxopiperidin-3-yl)imidazol-2-yl]sulfanylacetic acid
CID 63663393
1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one
CID 125457192
2-(6-oxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 55247004
5-(4-methylbenzimidazol-1-yl)piperidin-2-one
CID 174265023
(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 55252779
5-methylpiperidin-2-one
CID 10877083
(5S)-5-hydroxypiperidin-2-one
CID 10964456
(1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 51893383
5-[2-(chloromethyl)benzimidazol-1-yl]piperidin-2-one
CID 63661964
5-(2-iminopyrrolidin-1-yl)piperidin-2-one
CID 63661241

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one?
The IUPAC name of 5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one (CID 138467692) is 5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one.
What is the SMILES notation for 5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one?
The canonical SMILES for 5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one is Cn1c(CO)cn(C2CCC(=O)NC2)c1=O.
What is the InChIKey of 5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one?
The InChIKey is IIRGSESRRVVHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-12-8(6-14)5-13(10(12)16)7-2-3-9(15)11-4-7/h5,7,14H,2-4,6H2,1H3,(H,11,15).
What are the key properties of 5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one?
5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one has a molecular weight of 225.25 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]piperidin-2-one is sourced from PubChem (CID 138467692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).