N-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide

C20H26N4O4 — CID 24817725

IUPACN-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCOCC(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C20H26N4O4/c1-27-15-20(26)23-12-8-16(9-13-23)24-18(7-11-21-24)22-19(25)10-14-28-17-5-3-2-4-6-17/h2-7,11,16H,8-10,12-15H2,1H3,(H,22,25)
InChIKeyXIJAQUPRIWVMPA-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.10
Rot. Bonds8

About N-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide

N-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (PubChem CID 24817725) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
PubChem CID24817725
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCOCC(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C20H26N4O4/c1-27-15-20(26)23-12-8-16(9-13-23)24-18(7-11-21-24)22-19(25)10-14-28-17-5-3-2-4-6-17/h2-7,11,16H,8-10,12-15H2,1H3,(H,22,25)
InChIKeyXIJAQUPRIWVMPA-UHFFFAOYSA-N
XLogP2.10
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (CID 24817725) is N-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is COCC(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The InChIKey is XIJAQUPRIWVMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-27-15-20(26)23-12-8-16(9-13-23)24-18(7-11-21-24)22-19(25)10-14-28-17-5-3-2-4-6-17/h2-7,11,16H,8-10,12-15H2,1H3,(H,22,25).
What are the key properties of N-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
N-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide has a molecular weight of 386.45 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 24817725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).