3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one

C15H24N4O2 — CID 111750131

IUPAC3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one
SMILESCn1ccc(N2CCCC(N3CCCC(CO)C3)C2=O)n1
InChIInChI=1S/C15H24N4O2/c1-17-9-6-14(16-17)19-8-3-5-13(15(19)21)18-7-2-4-12(10-18)11-20/h6,9,12-13,20H,2-5,7-8,10-11H2,1H3
InChIKeyBVUREDCCDIOZEU-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.62
Rot. Bonds3

About 3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one

3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one (PubChem CID 111750131) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one
PubChem CID111750131
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one
SMILESCn1ccc(N2CCCC(N3CCCC(CO)C3)C2=O)n1
InChIInChI=1S/C15H24N4O2/c1-17-9-6-14(16-17)19-8-3-5-13(15(19)21)18-7-2-4-12(10-18)11-20/h6,9,12-13,20H,2-5,7-8,10-11H2,1H3
InChIKeyBVUREDCCDIOZEU-UHFFFAOYSA-N
XLogP0.62
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride
CID 119920464
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 111543883
1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one
CID 91660041
1-(1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carbonitrile
CID 118061157
3-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 157370851
(3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 698856
N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 154861922
2-methyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]prop-2-ene-1-sulfonamide
CID 124621585
1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
CID 50742723
(3S)-1-(1-methylpyrazol-3-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]piperidin-2-one
CID 99820388
[1-(1-methylpyrazol-3-yl)piperidin-3-yl]methanamine
CID 112708877
1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea
CID 124885479

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of 3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one (CID 111750131) is 3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for 3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one is Cn1ccc(N2CCCC(N3CCCC(CO)C3)C2=O)n1.
What is the InChIKey of 3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The InChIKey is BVUREDCCDIOZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17-9-6-14(16-17)19-8-3-5-13(15(19)21)18-7-2-4-12(10-18)11-20/h6,9,12-13,20H,2-5,7-8,10-11H2,1H3.
What are the key properties of 3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one has a molecular weight of 292.38 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 111750131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).