1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

C19H26N4O2 — CID 124998291

IUPAC1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCOc1ccccc1[C@@H]1CN(C(=O)CCc2ccnn2C)CCN1C
InChIInChI=1S/C19H26N4O2/c1-21-12-13-23(19(24)9-8-15-10-11-20-22(15)2)14-17(21)16-6-4-5-7-18(16)25-3/h4-7,10-11,17H,8-9,12-14H2,1-3H3/t17-/m0/s1
InChIKeyRGQZMGGJWIRDEO-KRWDZBQOSA-N
MW342.44 g/mol
LogP1.88
Rot. Bonds5

About 1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 124998291) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID124998291
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCOc1ccccc1[C@@H]1CN(C(=O)CCc2ccnn2C)CCN1C
InChIInChI=1S/C19H26N4O2/c1-21-12-13-23(19(24)9-8-15-10-11-20-22(15)2)14-17(21)16-6-4-5-7-18(16)25-3/h4-7,10-11,17H,8-9,12-14H2,1-3H3/t17-/m0/s1
InChIKeyRGQZMGGJWIRDEO-KRWDZBQOSA-N
XLogP1.88
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pentan-1-one
CID 110293138
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 110098353
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110631963
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293165
2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 125011182
1-(3,4-dimethylphenyl)-4-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]butane-1,4-dione
CID 110631946
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110631942
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (CID 124998291) is 1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is COc1ccccc1[C@@H]1CN(C(=O)CCc2ccnn2C)CCN1C.
What is the InChIKey of 1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is RGQZMGGJWIRDEO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-21-12-13-23(19(24)9-8-15-10-11-20-22(15)2)14-17(21)16-6-4-5-7-18(16)25-3/h4-7,10-11,17H,8-9,12-14H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 342.44 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 124998291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).