5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one

C12H20N4O2 — CID 64829046

IUPAC5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one
SMILESCN1CC(NCc2cnn(CCO)c2)CCC1=O
InChIInChI=1S/C12H20N4O2/c1-15-9-11(2-3-12(15)18)13-6-10-7-14-16(8-10)4-5-17/h7-8,11,13,17H,2-6,9H2,1H3
InChIKeyGLZAWZMWAXHGKK-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.41
Rot. Bonds5

About 5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one

5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one (PubChem CID 64829046) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one
PubChem CID64829046
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one
SMILESCN1CC(NCc2cnn(CCO)c2)CCC1=O
InChIInChI=1S/C12H20N4O2/c1-15-9-11(2-3-12(15)18)13-6-10-7-14-16(8-10)4-5-17/h7-8,11,13,17H,2-6,9H2,1H3
InChIKeyGLZAWZMWAXHGKK-UHFFFAOYSA-N
XLogP-0.41
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide
CID 64829980
4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114439006
4-bromo-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114438997
N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 114477117
ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate
CID 64829987
5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 79832476
5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656120
2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64831011
5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one
CID 64655747
5-(5-hydroxypentylamino)-1-methylpiperidin-2-one
CID 64656153
2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol
CID 64829200
1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
CID 64654324

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one (CID 64829046) is 5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one is CN1CC(NCc2cnn(CCO)c2)CCC1=O.
What is the InChIKey of 5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one?
The InChIKey is GLZAWZMWAXHGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15-9-11(2-3-12(15)18)13-6-10-7-14-16(8-10)4-5-17/h7-8,11,13,17H,2-6,9H2,1H3.
What are the key properties of 5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one?
5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one has a molecular weight of 252.32 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64829046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).