1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone

C20H27N3O2 — CID 145071423

IUPAC1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(Cn2cc(CC3CCN(C(C)=O)CC3)c(C)n2)cc1
InChIInChI=1S/C20H27N3O2/c1-15-19(12-17-8-10-22(11-9-17)16(2)24)14-23(21-15)13-18-4-6-20(25-3)7-5-18/h4-7,14,17H,8-13H2,1-3H3
InChIKeyRDYAUJQSWPLKBU-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.05
Rot. Bonds5

About 1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone

1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 145071423) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone
PubChem CID145071423
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(Cn2cc(CC3CCN(C(C)=O)CC3)c(C)n2)cc1
InChIInChI=1S/C20H27N3O2/c1-15-19(12-17-8-10-22(11-9-17)16(2)24)14-23(21-15)13-18-4-6-20(25-3)7-5-18/h4-7,14,17H,8-13H2,1-3H3
InChIKeyRDYAUJQSWPLKBU-UHFFFAOYSA-N
XLogP3.05
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

tert-butyl 4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate
CID 121305369
[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate
CID 46086832
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
1-[3-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 66668959
[3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol
CID 174330913
1-hydroxy-4-[(4-methoxyphenyl)methyl]piperidine
CID 122445485
[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate
CID 155160735
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 166621082
(1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 110912966
4-[[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 166620619
tert-butyl 3-[4-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]pyrrolidine-1-carboxylate
CID 129011359
6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 146357398

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone (CID 145071423) is 1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone is COc1ccc(Cn2cc(CC3CCN(C(C)=O)CC3)c(C)n2)cc1.
What is the InChIKey of 1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is RDYAUJQSWPLKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-19(12-17-8-10-22(11-9-17)16(2)24)14-23(21-15)13-18-4-6-20(25-3)7-5-18/h4-7,14,17H,8-13H2,1-3H3.
What are the key properties of 1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone?
1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 341.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 145071423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).