1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone

C18H24N4O2 — CID 124954167

IUPAC1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1ccn(C)n1
InChIInChI=1S/C18H24N4O2/c1-14(23)21-10-11-22(12-15-8-9-20(2)19-15)17(13-21)16-6-4-5-7-18(16)24-3/h4-9,17H,10-13H2,1-3H3/t17-/m1/s1
InChIKeyFANKMBNAVKWYQL-QGZVFWFLSA-N
MW328.42 g/mol
LogP1.83
Rot. Bonds4

About 1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone

1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 124954167) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone
PubChem CID124954167
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1ccn(C)n1
InChIInChI=1S/C18H24N4O2/c1-14(23)21-10-11-22(12-15-8-9-20(2)19-15)17(13-21)16-6-4-5-7-18(16)24-3/h4-9,17H,10-13H2,1-3H3/t17-/m1/s1
InChIKeyFANKMBNAVKWYQL-QGZVFWFLSA-N
XLogP1.83
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3S)-3-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethanone
CID 124953559
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 124939881
1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110109329
1-[(3R)-3-(2-methoxyphenyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 124976201
1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 124947831
1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110109313
1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole
CID 91838829
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
2-[4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110122264
2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 125018257
1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 124960055

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone (CID 124954167) is 1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone is COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1ccn(C)n1.
What is the InChIKey of 1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is FANKMBNAVKWYQL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(23)21-10-11-22(12-15-8-9-20(2)19-15)17(13-21)16-6-4-5-7-18(16)24-3/h4-9,17H,10-13H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone?
1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 328.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(2-methoxyphenyl)-4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 124954167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).