1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one

C20H28N4O2 — CID 70720201

IUPAC1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)C(C)n2cc(C)cn2)CC1(C)C
InChIInChI=1S/C20H28N4O2/c1-15-12-21-24(13-15)16(2)19(25)22-10-11-23(20(3,4)14-22)17-8-6-7-9-18(17)26-5/h6-9,12-13,16H,10-11,14H2,1-5H3
InChIKeyNLZZGDZBNCSLOP-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.89
Rot. Bonds4

About 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one

1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 70720201) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID70720201
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)C(C)n2cc(C)cn2)CC1(C)C
InChIInChI=1S/C20H28N4O2/c1-15-12-21-24(13-15)16(2)19(25)22-10-11-23(20(3,4)14-22)17-8-6-7-9-18(17)26-5/h6-9,12-13,16H,10-11,14H2,1-5H3
InChIKeyNLZZGDZBNCSLOP-UHFFFAOYSA-N
XLogP2.89
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 70709938
1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one
CID 70763294
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 36991296
[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70764465
5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70788614
(2S)-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 95881202
6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70743886
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 19536190
1-(aziridin-1-yl)-2-(4-bromopyrazol-1-yl)propan-1-one
CID 130734809
1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol
CID 72884550
1-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one
CID 135093120
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one (CID 70720201) is 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one is COc1ccccc1N1CCN(C(=O)C(C)n2cc(C)cn2)CC1(C)C.
What is the InChIKey of 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is NLZZGDZBNCSLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-12-21-24(13-15)16(2)19(25)22-10-11-23(20(3,4)14-22)17-8-6-7-9-18(17)26-5/h6-9,12-13,16H,10-11,14H2,1-5H3.
What are the key properties of 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 356.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 70720201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).