methyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate

C19H25N3O3 — CID 75440041

IUPACmethyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate
SMILESCOC(=O)C(O)C1CCN(Cc2cn(-c3ccccc3)nc2C)CC1
InChIInChI=1S/C19H25N3O3/c1-14-16(13-22(20-14)17-6-4-3-5-7-17)12-21-10-8-15(9-11-21)18(23)19(24)25-2/h3-7,13,15,18,23H,8-12H2,1-2H3
InChIKeyGKVKHNMQLPNXSA-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.93
Rot. Bonds5

About methyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate

methyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate (PubChem CID 75440041) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate
PubChem CID75440041
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namemethyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate
SMILESCOC(=O)C(O)C1CCN(Cc2cn(-c3ccccc3)nc2C)CC1
InChIInChI=1S/C19H25N3O3/c1-14-16(13-22(20-14)17-6-4-3-5-7-17)12-21-10-8-15(9-11-21)18(23)19(24)25-2/h3-7,13,15,18,23H,8-12H2,1-2H3
InChIKeyGKVKHNMQLPNXSA-UHFFFAOYSA-N
XLogP1.93
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-hydroxy-2-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetate
CID 84594014
1-[2-[(E)-(2-pyrazol-1-ylphenyl)methylideneamino]oxyethyl]piperidine-3-carboxylic acid
CID 155516380
Methyl 2-[1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-hydroxyacetate
CID 75471082
methyl (2R)-2-[1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-hydroxyacetate
CID 97151819
methyl (2S)-2-[1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-hydroxyacetate
CID 97151820
2-[1-(4-Fluorophenyl)pyrazol-3-yl]-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 109957634
2-[1-(4-Fluorophenyl)pyrazol-3-yl]-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 111463017
1-[[1-(4-Fluorophenyl)pyrazol-3-yl]methyl]piperidine-3-carboxylic acid
CID 120354683
1-[[1-(2,6-Difluorophenyl)pyrazol-3-yl]methyl]piperidine-3-carboxylic acid
CID 121922375
1-[[1-(2,6-Difluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121075
1-[[1-(4-Fluorophenyl)pyrazol-3-yl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121233
(2R,3R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124820

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate (CID 75440041) is methyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate is COC(=O)C(O)C1CCN(Cc2cn(-c3ccccc3)nc2C)CC1.
What is the InChIKey of methyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate?
The InChIKey is GKVKHNMQLPNXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-16(13-22(20-14)17-6-4-3-5-7-17)12-21-10-8-15(9-11-21)18(23)19(24)25-2/h3-7,13,15,18,23H,8-12H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate?
methyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate has a molecular weight of 343.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate is sourced from PubChem (CID 75440041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).