1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone

C19H23N5O — CID 56779757

IUPAC1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
SMILESCCc1nccn1C1CCCN(C(=O)Cc2[nH]nc3ccccc23)C1
InChIInChI=1S/C19H23N5O/c1-2-18-20-9-11-24(18)14-6-5-10-23(13-14)19(25)12-17-15-7-3-4-8-16(15)21-22-17/h3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3,(H,21,22)
InChIKeyVMIQDUITHGYAOK-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.73
Rot. Bonds4

About 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone

1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone (PubChem CID 56779757) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
PubChem CID56779757
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
SMILESCCc1nccn1C1CCCN(C(=O)Cc2[nH]nc3ccccc23)C1
InChIInChI=1S/C19H23N5O/c1-2-18-20-9-11-24(18)14-6-5-10-23(13-14)19(25)12-17-15-7-3-4-8-16(15)21-22-17/h3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3,(H,21,22)
InChIKeyVMIQDUITHGYAOK-UHFFFAOYSA-N
XLogP2.73
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone?
The IUPAC name of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone (CID 56779757) is 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone.
What is the SMILES notation for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone?
The canonical SMILES for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone is CCc1nccn1C1CCCN(C(=O)Cc2[nH]nc3ccccc23)C1.
What is the InChIKey of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone?
The InChIKey is VMIQDUITHGYAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-18-20-9-11-24(18)14-6-5-10-23(13-14)19(25)12-17-15-7-3-4-8-16(15)21-22-17/h3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3,(H,21,22).
What are the key properties of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone?
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone has a molecular weight of 337.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone is sourced from PubChem (CID 56779757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).