1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone

C20H22N4O — CID 166207018

IUPAC1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cccc4[nH]ncc34)CC2C)c1
InChIInChI=1S/C20H22N4O/c1-14-5-3-6-16(11-14)24-10-9-23(13-15(24)2)20(25)17-7-4-8-19-18(17)12-21-22-19/h3-8,11-12,15H,9-10,13H2,1-2H3,(H,21,22)
InChIKeyOYXJRSZXFVOERV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.22
Rot. Bonds2

About 1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone

1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 166207018) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID166207018
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cccc4[nH]ncc34)CC2C)c1
InChIInChI=1S/C20H22N4O/c1-14-5-3-6-16(11-14)24-10-9-23(13-15(24)2)20(25)17-7-4-8-19-18(17)12-21-22-19/h3-8,11-12,15H,9-10,13H2,1-2H3,(H,21,22)
InChIKeyOYXJRSZXFVOERV-UHFFFAOYSA-N
XLogP3.22
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 3796874
3-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 95075781
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone
CID 92876993
3-methyl-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 53094508
7-amino-2-(1H-indazole-4-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 166242481
[4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166229211
(3-bromophenyl)-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2579914
[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166189721
[4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 172718678
5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 134069407
[2-[4-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 95090568
[2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 95090567

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone (CID 166207018) is 1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3cccc4[nH]ncc34)CC2C)c1.
What is the InChIKey of 1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is OYXJRSZXFVOERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-5-3-6-16(11-14)24-10-9-23(13-15(24)2)20(25)17-7-4-8-19-18(17)12-21-22-19/h3-8,11-12,15H,9-10,13H2,1-2H3,(H,21,22).
What are the key properties of 1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone?
1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 166207018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).