5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one

C14H20N4O4 — CID 136565324

IUPAC5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCn1cc(N2CC(C(=O)N3CC(O)(CO)C3)CCC2=O)cn1
InChIInChI=1S/C14H20N4O4/c1-16-6-11(4-15-16)18-5-10(2-3-12(18)20)13(21)17-7-14(22,8-17)9-19/h4,6,10,19,22H,2-3,5,7-9H2,1H3
InChIKeyANKQHWZBHDMHOZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP-1.27
Rot. Bonds3

About 5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one

5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 136565324) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID136565324
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCn1cc(N2CC(C(=O)N3CC(O)(CO)C3)CCC2=O)cn1
InChIInChI=1S/C14H20N4O4/c1-16-6-11(4-15-16)18-5-10(2-3-12(18)20)13(21)17-7-14(22,8-17)9-19/h4,6,10,19,22H,2-3,5,7-9H2,1H3
InChIKeyANKQHWZBHDMHOZ-UHFFFAOYSA-N
XLogP-1.27
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one
CID 136563456
5-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 136565214
5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 167931670
1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 136564463
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 166409944
N-ethyl-1-(1-methylpyrazol-4-yl)-6-oxo-N-pyridin-4-ylpiperidine-3-carboxamide
CID 138026197
methyl (3R)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 125424343
2-(1-methylpyrazol-4-yl)-7-(oxane-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131660715
2-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide
CID 126824824
4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride
CID 120634332
4-(3-aminocyclopentanecarbonyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 119793437
4-ethynyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 168501478

Frequently Asked Questions

What is the IUPAC name of 5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 136565324) is 5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is Cn1cc(N2CC(C(=O)N3CC(O)(CO)C3)CCC2=O)cn1.
What is the InChIKey of 5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is ANKQHWZBHDMHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-16-6-11(4-15-16)18-5-10(2-3-12(18)20)13(21)17-7-14(22,8-17)9-19/h4,6,10,19,22H,2-3,5,7-9H2,1H3.
What are the key properties of 5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 308.34 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 136565324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).