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

C18H30N4O2 — CID 119881066

IUPAC1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one
SMILESCc1cnn(CC2CN(C(=O)CC(C)C3CCCNC3)CCO2)c1
InChIInChI=1S/C18H30N4O2/c1-14-9-20-22(11-14)13-17-12-21(6-7-24-17)18(23)8-15(2)16-4-3-5-19-10-16/h9,11,15-17,19H,3-8,10,12-13H2,1-2H3
InChIKeyVLTRRFNBULDBGP-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.44
Rot. Bonds5

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

1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one (PubChem CID 119881066) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one
PubChem CID119881066
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one
SMILESCc1cnn(CC2CN(C(=O)CC(C)C3CCCNC3)CCO2)c1
InChIInChI=1S/C18H30N4O2/c1-14-9-20-22(11-14)13-17-12-21(6-7-24-17)18(23)8-15(2)16-4-3-5-19-10-16/h9,11,15-17,19H,3-8,10,12-13H2,1-2H3
InChIKeyVLTRRFNBULDBGP-UHFFFAOYSA-N
XLogP1.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one with MolForge

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Related Compounds

3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 119880994
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-methyl-3-(methylamino)-1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-1-one
CID 119881078
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119399723
1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 136525112
(3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
CID 119881058
1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119894294
N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
CID 166203151
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119894711
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119815503

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one?
The IUPAC name of 1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one (CID 119881066) is 1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one.
What is the SMILES notation for 1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one?
The canonical SMILES for 1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one is Cc1cnn(CC2CN(C(=O)CC(C)C3CCCNC3)CCO2)c1.
What is the InChIKey of 1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one?
The InChIKey is VLTRRFNBULDBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14-9-20-22(11-14)13-17-12-21(6-7-24-17)18(23)8-15(2)16-4-3-5-19-10-16/h9,11,15-17,19H,3-8,10,12-13H2,1-2H3.
What are the key properties of 1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one?
1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one has a molecular weight of 334.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one is sourced from PubChem (CID 119881066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).