(4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone

C17H22N4O2 — CID 122149214

IUPAC(4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(-n2ccc(C(=O)N3CCC(N)CC3C)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-12-11-13(18)7-9-20(12)17(22)16-8-10-21(19-16)14-3-5-15(23-2)6-4-14/h3-6,8,10,12-13H,7,9,11,18H2,1-2H3
InChIKeyPNJSUXDLGOOCEE-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.83
Rot. Bonds3

About (4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone

(4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone (PubChem CID 122149214) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
PubChem CID122149214
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(-n2ccc(C(=O)N3CCC(N)CC3C)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-12-11-13(18)7-9-20(12)17(22)16-8-10-21(19-16)14-3-5-15(23-2)6-4-14/h3-6,8,10,12-13H,7,9,11,18H2,1-2H3
InChIKeyPNJSUXDLGOOCEE-UHFFFAOYSA-N
XLogP1.83
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone (CID 122149214) is (4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone is COc1ccc(-n2ccc(C(=O)N3CCC(N)CC3C)n2)cc1.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
The InChIKey is PNJSUXDLGOOCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-11-13(18)7-9-20(12)17(22)16-8-10-21(19-16)14-3-5-15(23-2)6-4-14/h3-6,8,10,12-13H,7,9,11,18H2,1-2H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
(4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 122149214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).