2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone

C13H22N4O2 — CID 114670325

IUPAC2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
SMILESCCn1ncc(OC)c1C(=O)CN1CCC(N)CC1
InChIInChI=1S/C13H22N4O2/c1-3-17-13(12(19-2)8-15-17)11(18)9-16-6-4-10(14)5-7-16/h8,10H,3-7,9,14H2,1-2H3
InChIKeyWIGIIGMDXKOBJP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.52
Rot. Bonds5

About 2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone

2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone (PubChem CID 114670325) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
PubChem CID114670325
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
SMILESCCn1ncc(OC)c1C(=O)CN1CCC(N)CC1
InChIInChI=1S/C13H22N4O2/c1-3-17-13(12(19-2)8-15-17)11(18)9-16-6-4-10(14)5-7-16/h8,10H,3-7,9,14H2,1-2H3
InChIKeyWIGIIGMDXKOBJP-UHFFFAOYSA-N
XLogP0.52
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(thian-4-yl)ethanone
CID 105133121
2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114669627
2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one
CID 114671018
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one
CID 114671046
2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114670105
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone
CID 114639766
1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperazin-1-ylethanone
CID 114668690
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214416
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one
CID 114668323
(1-ethyl-4-methoxypyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 114642771
(1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105133074

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone (CID 114670325) is 2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone is CCn1ncc(OC)c1C(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone?
The InChIKey is WIGIIGMDXKOBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-17-13(12(19-2)8-15-17)11(18)9-16-6-4-10(14)5-7-16/h8,10H,3-7,9,14H2,1-2H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone?
2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone is sourced from PubChem (CID 114670325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).