1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone

C17H19ClN4O — CID 159647183

IUPAC1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone
SMILESNc1nccnc1C(=O)Cc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C17H19ClN4O/c18-13-4-5-14(22-8-2-1-3-9-22)12(10-13)11-15(23)16-17(19)21-7-6-20-16/h4-7,10H,1-3,8-9,11H2,(H2,19,21)
InChIKeyMRCIINRKYLSNRI-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.13
Rot. Bonds4

About 1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone

1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone (PubChem CID 159647183) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone
PubChem CID159647183
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone
SMILESNc1nccnc1C(=O)Cc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C17H19ClN4O/c18-13-4-5-14(22-8-2-1-3-9-22)12(10-13)11-15(23)16-17(19)21-7-6-20-16/h4-7,10H,1-3,8-9,11H2,(H2,19,21)
InChIKeyMRCIINRKYLSNRI-UHFFFAOYSA-N
XLogP3.13
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone?
The IUPAC name of 1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone (CID 159647183) is 1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone?
The canonical SMILES for 1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone is Nc1nccnc1C(=O)Cc1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of 1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone?
The InChIKey is MRCIINRKYLSNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-13-4-5-14(22-8-2-1-3-9-22)12(10-13)11-15(23)16-17(19)21-7-6-20-16/h4-7,10H,1-3,8-9,11H2,(H2,19,21).
What are the key properties of 1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone?
1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone has a molecular weight of 330.82 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone is sourced from PubChem (CID 159647183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).