1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone

C20H22N4O — CID 67645208

IUPAC1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(Cn2ncc3ccccc32)CC1
InChIInChI=1S/C20H22N4O/c25-20(14-17-6-2-1-3-7-17)23-12-10-22(11-13-23)16-24-19-9-5-4-8-18(19)15-21-24/h1-9,15H,10-14,16H2
InChIKeyDGNWRTZJMUTTGI-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.38
Rot. Bonds4

About 1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone

1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 67645208) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone
PubChem CID67645208
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(Cn2ncc3ccccc32)CC1
InChIInChI=1S/C20H22N4O/c25-20(14-17-6-2-1-3-7-17)23-12-10-22(11-13-23)16-24-19-9-5-4-8-18(19)15-21-24/h1-9,15H,10-14,16H2
InChIKeyDGNWRTZJMUTTGI-UHFFFAOYSA-N
XLogP2.38
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone (CID 67645208) is 1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(Cn2ncc3ccccc32)CC1.
What is the InChIKey of 1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is DGNWRTZJMUTTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(14-17-6-2-1-3-7-17)23-12-10-22(11-13-23)16-24-19-9-5-4-8-18(19)15-21-24/h1-9,15H,10-14,16H2.
What are the key properties of 1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 334.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(indazol-1-ylmethyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 67645208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).