(2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

C20H24N4O4 — CID 95197811

IUPAC(2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)C(C)=O)CC1)c1ccccc1
InChIInChI=1S/C20H24N4O4/c1-14(25)20(27)23-12-9-16(10-13-23)24-17(8-11-21-24)22-19(26)18(28-2)15-6-4-3-5-7-15/h3-8,11,16,18H,9-10,12-13H2,1-2H3,(H,22,26)/t18-/m0/s1
InChIKeyZXNICWJREMPCAM-SFHVURJKSA-N
MW384.44 g/mol
LogP1.96
Rot. Bonds6

About (2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

(2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 95197811) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is (2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
PubChem CID95197811
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name(2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)C(C)=O)CC1)c1ccccc1
InChIInChI=1S/C20H24N4O4/c1-14(25)20(27)23-12-9-16(10-13-23)24-17(8-11-21-24)22-19(26)18(28-2)15-6-4-3-5-7-15/h3-8,11,16,18H,9-10,12-13H2,1-2H3,(H,22,26)/t18-/m0/s1
InChIKeyZXNICWJREMPCAM-SFHVURJKSA-N
XLogP1.96
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of (2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 95197811) is (2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)C(C)=O)CC1)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is ZXNICWJREMPCAM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-14(25)20(27)23-12-9-16(10-13-23)24-17(8-11-21-24)22-19(26)18(28-2)15-6-4-3-5-7-15/h3-8,11,16,18H,9-10,12-13H2,1-2H3,(H,22,26)/t18-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
(2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 384.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 95197811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).