2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone

C15H26N4O — CID 115290579

IUPAC2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(N)C(=O)N2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C15H26N4O/c1-15(2,3)12-5-7-19(8-6-12)14(20)13(16)11-9-17-18(4)10-11/h9-10,12-13H,5-8,16H2,1-4H3
InChIKeyVIXQZXMYRRHNIO-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.70
Rot. Bonds2

About 2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone

2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 115290579) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID115290579
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(N)C(=O)N2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C15H26N4O/c1-15(2,3)12-5-7-19(8-6-12)14(20)13(16)11-9-17-18(4)10-11/h9-10,12-13H,5-8,16H2,1-4H3
InChIKeyVIXQZXMYRRHNIO-UHFFFAOYSA-N
XLogP1.70
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone (CID 115290579) is 2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(N)C(=O)N2CCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of 2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is VIXQZXMYRRHNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,3)12-5-7-19(8-6-12)14(20)13(16)11-9-17-18(4)10-11/h9-10,12-13H,5-8,16H2,1-4H3.
What are the key properties of 2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone?
2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 278.40 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 115290579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).