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

C25H28N4O4 — CID 24794086

IUPAC2-methoxy-N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCOc1cccc(C(=O)N2CCC(n3nccc3NC(=O)C(OC)c3ccccc3)CC2)c1
InChIInChI=1S/C25H28N4O4/c1-32-21-10-6-9-19(17-21)25(31)28-15-12-20(13-16-28)29-22(11-14-26-29)27-24(30)23(33-2)18-7-4-3-5-8-18/h3-11,14,17,20,23H,12-13,15-16H2,1-2H3,(H,27,30)
InChIKeyPOCNLDJHLSBTQV-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.70
Rot. Bonds7

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

2-methoxy-N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 24794086) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
PubChem CID24794086
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name2-methoxy-N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCOc1cccc(C(=O)N2CCC(n3nccc3NC(=O)C(OC)c3ccccc3)CC2)c1
InChIInChI=1S/C25H28N4O4/c1-32-21-10-6-9-19(17-21)25(31)28-15-12-20(13-16-28)29-22(11-14-26-29)27-24(30)23(33-2)18-7-4-3-5-8-18/h3-11,14,17,20,23H,12-13,15-16H2,1-2H3,(H,27,30)
InChIKeyPOCNLDJHLSBTQV-UHFFFAOYSA-N
XLogP3.70
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of 2-methoxy-N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 24794086) is 2-methoxy-N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for 2-methoxy-N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is COc1cccc(C(=O)N2CCC(n3nccc3NC(=O)C(OC)c3ccccc3)CC2)c1.
What is the InChIKey of 2-methoxy-N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is POCNLDJHLSBTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-32-21-10-6-9-19(17-21)25(31)28-15-12-20(13-16-28)29-22(11-14-26-29)27-24(30)23(33-2)18-7-4-3-5-8-18/h3-11,14,17,20,23H,12-13,15-16H2,1-2H3,(H,27,30).
What are the key properties of 2-methoxy-N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
2-methoxy-N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 448.52 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 24794086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).