2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone

C16H22N4O — CID 5307808

IUPAC2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)Cn2ncc3ccccc32)CC1
InChIInChI=1S/C16H22N4O/c1-2-7-18-8-10-19(11-9-18)16(21)13-20-15-6-4-3-5-14(15)12-17-20/h3-6,12H,2,7-11,13H2,1H3
InChIKeyFVVPJMQZGVOTEY-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.59
Rot. Bonds4

About 2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone

2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone (PubChem CID 5307808) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone
PubChem CID5307808
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)Cn2ncc3ccccc32)CC1
InChIInChI=1S/C16H22N4O/c1-2-7-18-8-10-19(11-9-18)16(21)13-20-15-6-4-3-5-14(15)12-17-20/h3-6,12H,2,7-11,13H2,1H3
InChIKeyFVVPJMQZGVOTEY-UHFFFAOYSA-N
XLogP1.59
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone?
The IUPAC name of 2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone (CID 5307808) is 2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone is CCCN1CCN(C(=O)Cn2ncc3ccccc32)CC1.
What is the InChIKey of 2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone?
The InChIKey is FVVPJMQZGVOTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-7-18-8-10-19(11-9-18)16(21)13-20-15-6-4-3-5-14(15)12-17-20/h3-6,12H,2,7-11,13H2,1H3.
What are the key properties of 2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone?
2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone has a molecular weight of 286.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone is sourced from PubChem (CID 5307808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).