1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C19H26N4O2 — CID 95870124

IUPAC1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCn2nccc2C)[C@H](C)C1
InChIInChI=1S/C19H26N4O2/c1-15-8-10-20-23(15)11-9-19(24)22-13-12-21(14-16(22)2)17-6-4-5-7-18(17)25-3/h4-8,10,16H,9,11-14H2,1-3H3/t16-/m1/s1
InChIKeyBYNRFTMTBHMPHR-MRXNPFEDSA-N
MW342.44 g/mol
LogP2.33
Rot. Bonds5

About 1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 95870124) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID95870124
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCn2nccc2C)[C@H](C)C1
InChIInChI=1S/C19H26N4O2/c1-15-8-10-20-23(15)11-9-19(24)22-13-12-21(14-16(22)2)17-6-4-5-7-18(17)25-3/h4-8,10,16H,9,11-14H2,1-3H3/t16-/m1/s1
InChIKeyBYNRFTMTBHMPHR-MRXNPFEDSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-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

1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 70732947
1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 99973399
1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897540
1-[2-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897539
1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70750081
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 124963523
N-(2-ethylsulfanylethyl)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 121499519
2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone
CID 95873177
[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70788247
5-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 95897591
5-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 95897590
1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
CID 59648018

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 95870124) is 1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is COc1ccccc1N1CCN(C(=O)CCn2nccc2C)[C@H](C)C1.
What is the InChIKey of 1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is BYNRFTMTBHMPHR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-8-10-20-23(15)11-9-19(24)22-13-12-21(14-16(22)2)17-6-4-5-7-18(17)25-3/h4-8,10,16H,9,11-14H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 342.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 95870124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).