4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one

C14H22N4O2 — CID 134790541

IUPAC4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one
SMILESCn1nccc1CN1CCC(N2CCOCC2=O)CC1
InChIInChI=1S/C14H22N4O2/c1-16-13(2-5-15-16)10-17-6-3-12(4-7-17)18-8-9-20-11-14(18)19/h2,5,12H,3-4,6-11H2,1H3
InChIKeyIVACPVXXLXXAEN-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.24
Rot. Bonds3

About 4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one

4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one (PubChem CID 134790541) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one
PubChem CID134790541
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one
SMILESCn1nccc1CN1CCC(N2CCOCC2=O)CC1
InChIInChI=1S/C14H22N4O2/c1-16-13(2-5-15-16)10-17-6-3-12(4-7-17)18-8-9-20-11-14(18)19/h2,5,12H,3-4,6-11H2,1H3
InChIKeyIVACPVXXLXXAEN-UHFFFAOYSA-N
XLogP0.24
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxyethyl)-9-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396281
1-[7-[2-(Dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxyethanone
CID 118746056
1-[(3S)-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 94095763
(1-ethyl-1H-pyrazol-5-yl)[2-(2-morpholinoethyl)piperidino]methanone
CID 53193449
[(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 96574005
N-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 164630856
(3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide
CID 164633842
1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
CID 51078093
2-Morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone
CID 55496711
(4-Methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 75448934
2-Methoxy-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 75473120
1-[(3R)-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 94095762

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one?
The IUPAC name of 4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one (CID 134790541) is 4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for 4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one?
The canonical SMILES for 4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one is Cn1nccc1CN1CCC(N2CCOCC2=O)CC1.
What is the InChIKey of 4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one?
The InChIKey is IVACPVXXLXXAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-16-13(2-5-15-16)10-17-6-3-12(4-7-17)18-8-9-20-11-14(18)19/h2,5,12H,3-4,6-11H2,1H3.
What are the key properties of 4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one?
4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one has a molecular weight of 278.36 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 134790541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).