3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one

C17H28N4O2 — CID 119880994

IUPAC3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
SMILESCC(CC(=O)N1CCOC(Cn2cccn2)C1)C1CCCNC1
InChIInChI=1S/C17H28N4O2/c1-14(15-4-2-5-18-11-15)10-17(22)20-8-9-23-16(12-20)13-21-7-3-6-19-21/h3,6-7,14-16,18H,2,4-5,8-13H2,1H3
InChIKeyOMQFZTZRSWDWDC-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.14
Rot. Bonds5

About 3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one

3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one (PubChem CID 119880994) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
PubChem CID119880994
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
SMILESCC(CC(=O)N1CCOC(Cn2cccn2)C1)C1CCCNC1
InChIInChI=1S/C17H28N4O2/c1-14(15-4-2-5-18-11-15)10-17(22)20-8-9-23-16(12-20)13-21-7-3-6-19-21/h3,6-7,14-16,18H,2,4-5,8-13H2,1H3
InChIKeyOMQFZTZRSWDWDC-UHFFFAOYSA-N
XLogP1.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one
CID 119881066
1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119698721
1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119703775
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119881027
(2R)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 119880996
morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
CID 119881019
(2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 119881008
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119399723
N-(2-methyl-3-pyrazol-1-ylpropyl)-3-piperidin-3-ylbutanamide
CID 119734124
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119881376
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119874206
1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044118

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one?
The IUPAC name of 3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one (CID 119880994) is 3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one is CC(CC(=O)N1CCOC(Cn2cccn2)C1)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one?
The InChIKey is OMQFZTZRSWDWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-14(15-4-2-5-18-11-15)10-17(22)20-8-9-23-16(12-20)13-21-7-3-6-19-21/h3,6-7,14-16,18H,2,4-5,8-13H2,1H3.
What are the key properties of 3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one?
3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one has a molecular weight of 320.44 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 119880994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).