(2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

C25H30N4O2S — CID 42193479

IUPAC(2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(SC)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H30N4O2S/c1-31-24(20-6-4-3-5-7-20)25(30)27-23-12-15-26-29(23)21-13-16-28(17-14-21)18-19-8-10-22(32-2)11-9-19/h3-12,15,21,24H,13-14,16-18H2,1-2H3,(H,27,30)/t24-/m1/s1
InChIKeyGGPWCWLEDYCUKU-XMMPIXPASA-N
MW450.61 g/mol
LogP4.77
Rot. Bonds8

About (2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

(2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 42193479) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
PubChem CID42193479
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC Name(2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(SC)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H30N4O2S/c1-31-24(20-6-4-3-5-7-20)25(30)27-23-12-15-26-29(23)21-13-16-28(17-14-21)18-19-8-10-22(32-2)11-9-19/h3-12,15,21,24H,13-14,16-18H2,1-2H3,(H,27,30)/t24-/m1/s1
InChIKeyGGPWCWLEDYCUKU-XMMPIXPASA-N
XLogP4.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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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2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
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methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 42193479) is (2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(SC)cc2)CC1)c1ccccc1.
What is the InChIKey of (2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is GGPWCWLEDYCUKU-XMMPIXPASA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-31-24(20-6-4-3-5-7-20)25(30)27-23-12-15-26-29(23)21-13-16-28(17-14-21)18-19-8-10-22(32-2)11-9-19/h3-12,15,21,24H,13-14,16-18H2,1-2H3,(H,27,30)/t24-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
(2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 450.61 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 42193479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).