1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone

C14H24N4O2 — CID 124697019

IUPAC1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
SMILESCc1nn(C)c(C)c1OCC(=O)N1CCCC[C@@H]1CN
InChIInChI=1S/C14H24N4O2/c1-10-14(11(2)17(3)16-10)20-9-13(19)18-7-5-4-6-12(18)8-15/h12H,4-9,15H2,1-3H3/t12-/m1/s1
InChIKeyWVTSNHVISSFOAQ-GFCCVEGCSA-N
MW280.37 g/mol
LogP0.76
Rot. Bonds4

About 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone

1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone (PubChem CID 124697019) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
PubChem CID124697019
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
SMILESCc1nn(C)c(C)c1OCC(=O)N1CCCC[C@@H]1CN
InChIInChI=1S/C14H24N4O2/c1-10-14(11(2)17(3)16-10)20-9-13(19)18-7-5-4-6-12(18)8-15/h12H,4-9,15H2,1-3H3/t12-/m1/s1
InChIKeyWVTSNHVISSFOAQ-GFCCVEGCSA-N
XLogP0.76
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone;hydrochloride
CID 119633730
(2R,3R)-2-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]piperidine-3-carboxylic acid
CID 122116143
1-[(3S)-3-aminopiperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
CID 124594068
(4aR,7aS)-1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 120684130
1-(3-aminopiperidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone;hydrochloride
CID 119380697
1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
CID 125135182
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119466153
1-[2-(aminomethyl)piperidin-1-yl]-2-(4-ethoxyphenoxy)ethanone;hydrochloride
CID 119468043
1-[3-(methylamino)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone;hydrochloride
CID 119492345
1-[2-(aminomethyl)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 119467090
1-[2-(aminomethyl)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119467089
1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
CID 71853351

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone?
The IUPAC name of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone (CID 124697019) is 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone.
What is the SMILES notation for 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone?
The canonical SMILES for 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone is Cc1nn(C)c(C)c1OCC(=O)N1CCCC[C@@H]1CN.
What is the InChIKey of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone?
The InChIKey is WVTSNHVISSFOAQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-14(11(2)17(3)16-10)20-9-13(19)18-7-5-4-6-12(18)8-15/h12H,4-9,15H2,1-3H3/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone?
1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone has a molecular weight of 280.37 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone is sourced from PubChem (CID 124697019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).