methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate

C22H28N4O5 — CID 42213799

IUPACmethyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCC(n2nccc2NC(=O)[C@H](OC)c2ccccc2)CC1
InChIInChI=1S/C22H28N4O5/c1-30-20(28)9-8-19(27)25-14-11-17(12-15-25)26-18(10-13-23-26)24-22(29)21(31-2)16-6-4-3-5-7-16/h3-7,10,13,17,21H,8-9,11-12,14-15H2,1-2H3,(H,24,29)/t21-/m1/s1
InChIKeyCJVJVHRENNUQRU-OAQYLSRUSA-N
MW428.49 g/mol
LogP2.33
Rot. Bonds8

About methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate

methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate (PubChem CID 42213799) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate
PubChem CID42213799
Molecular FormulaC22H28N4O5
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC Namemethyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCC(n2nccc2NC(=O)[C@H](OC)c2ccccc2)CC1
InChIInChI=1S/C22H28N4O5/c1-30-20(28)9-8-19(27)25-14-11-17(12-15-25)26-18(10-13-23-26)24-22(29)21(31-2)16-6-4-3-5-7-16/h3-7,10,13,17,21H,8-9,11-12,14-15H2,1-2H3,(H,24,29)/t21-/m1/s1
InChIKeyCJVJVHRENNUQRU-OAQYLSRUSA-N
XLogP2.33
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate with MolForge

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Launch Full Analysis

Related Compounds

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(2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
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CID 25452567
(2S)-2-methoxy-N-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 42565989
(2R)-N-[2-(1-cyclopentylpiperidin-4-yl)pyrazol-3-yl]-2-methoxy-2-phenylacetamide
CID 25367005
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CID 42310960
2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide
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(2R)-2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate?
The IUPAC name of methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate (CID 42213799) is methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate is COC(=O)CCC(=O)N1CCC(n2nccc2NC(=O)[C@H](OC)c2ccccc2)CC1.
What is the InChIKey of methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate?
The InChIKey is CJVJVHRENNUQRU-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N4O5/c1-30-20(28)9-8-19(27)25-14-11-17(12-15-25)26-18(10-13-23-26)24-22(29)21(31-2)16-6-4-3-5-7-16/h3-7,10,13,17,21H,8-9,11-12,14-15H2,1-2H3,(H,24,29)/t21-/m1/s1.
What are the key properties of methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate?
methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate has a molecular weight of 428.49 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 42213799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).