2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide

C23H27N5O2 — CID 91828352

IUPAC2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2ccncc2)CC1)c1ccccc1
InChIInChI=1S/C23H27N5O2/c1-30-22(19-5-3-2-4-6-19)23(29)26-21-9-14-25-28(21)20-10-15-27(16-11-20)17-18-7-12-24-13-8-18/h2-9,12-14,20,22H,10-11,15-17H2,1H3,(H,26,29)
InChIKeyFHWWSUGTDZZVIN-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.44
Rot. Bonds7

About 2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide

2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide (PubChem CID 91828352) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide
PubChem CID91828352
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2ccncc2)CC1)c1ccccc1
InChIInChI=1S/C23H27N5O2/c1-30-22(19-5-3-2-4-6-19)23(29)26-21-9-14-25-28(21)20-10-15-27(16-11-20)17-18-7-12-24-13-8-18/h2-9,12-14,20,22H,10-11,15-17H2,1H3,(H,26,29)
InChIKeyFHWWSUGTDZZVIN-UHFFFAOYSA-N
XLogP3.44
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
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(2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
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CID 26401475
2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide
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(2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
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(2R)-N-[2-(1-cyclopentylpiperidin-4-yl)pyrazol-3-yl]-2-methoxy-2-phenylacetamide
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(2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 95197811
2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
CID 45175176
methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate
CID 42213799
(2R)-N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide (CID 91828352) is 2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide is COC(C(=O)Nc1ccnn1C1CCN(Cc2ccncc2)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The InChIKey is FHWWSUGTDZZVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-30-22(19-5-3-2-4-6-19)23(29)26-21-9-14-25-28(21)20-10-15-27(16-11-20)17-18-7-12-24-13-8-18/h2-9,12-14,20,22H,10-11,15-17H2,1H3,(H,26,29).
What are the key properties of 2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 91828352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).