5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one

C12H20N4O2 — CID 114554528

IUPAC5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one
SMILESCOCCN1C(=O)CCC(N)C1c1ccnn1C
InChIInChI=1S/C12H20N4O2/c1-15-10(5-6-14-15)12-9(13)3-4-11(17)16(12)7-8-18-2/h5-6,9,12H,3-4,7-8,13H2,1-2H3
InChIKeyHTXSQEHDBWMIRZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.06
Rot. Bonds4

About 5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one

5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one (PubChem CID 114554528) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one
PubChem CID114554528
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one
SMILESCOCCN1C(=O)CCC(N)C1c1ccnn1C
InChIInChI=1S/C12H20N4O2/c1-15-10(5-6-14-15)12-9(13)3-4-11(17)16(12)7-8-18-2/h5-6,9,12H,3-4,7-8,13H2,1-2H3
InChIKeyHTXSQEHDBWMIRZ-UHFFFAOYSA-N
XLogP0.06
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128983643
5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one
CID 115529120
6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one
CID 114557788
5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one
CID 82193456
5-hydroxy-1-(2-methoxyethyl)pyrrolidin-2-one
CID 148668115
methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate
CID 124709192
1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
CID 114557630
(5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 86333454
5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one
CID 82193429
4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 122360290
5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one
CID 82193413
(4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 129483915

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of 5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one (CID 114554528) is 5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for 5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for 5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one is COCCN1C(=O)CCC(N)C1c1ccnn1C.
What is the InChIKey of 5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The InChIKey is HTXSQEHDBWMIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15-10(5-6-14-15)12-9(13)3-4-11(17)16(12)7-8-18-2/h5-6,9,12H,3-4,7-8,13H2,1-2H3.
What are the key properties of 5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one?
5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one has a molecular weight of 252.32 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 114554528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).