4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C22H29N5O4 — CID 26392217

IUPAC4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)CCN3CCCO3)CC2)cc1
InChIInChI=1S/C22H29N5O4/c1-30-19-5-3-17(4-6-19)22(29)24-20-7-11-23-27(20)18-8-13-25(14-9-18)21(28)10-15-26-12-2-16-31-26/h3-7,11,18H,2,8-10,12-16H2,1H3,(H,24,29)
InChIKeyIAJQCJPKKHQPDG-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.33
Rot. Bonds7

About 4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide

4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 26392217) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID26392217
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)CCN3CCCO3)CC2)cc1
InChIInChI=1S/C22H29N5O4/c1-30-19-5-3-17(4-6-19)22(29)24-20-7-11-23-27(20)18-8-13-25(14-9-18)21(28)10-15-26-12-2-16-31-26/h3-7,11,18H,2,8-10,12-16H2,1H3,(H,24,29)
InChIKeyIAJQCJPKKHQPDG-UHFFFAOYSA-N
XLogP2.33
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide
CID 42567750
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N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide
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N-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
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N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
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N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 26392217) is 4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)CCN3CCCO3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is IAJQCJPKKHQPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-30-19-5-3-17(4-6-19)22(29)24-20-7-11-23-27(20)18-8-13-25(14-9-18)21(28)10-15-26-12-2-16-31-26/h3-7,11,18H,2,8-10,12-16H2,1H3,(H,24,29).
What are the key properties of 4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 427.51 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 26392217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).