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

C25H28N4O4 — CID 24791326

IUPACN-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCOc1cccc(C(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c1
InChIInChI=1S/C25H28N4O4/c1-32-22-9-5-6-19(18-22)25(31)28-15-11-20(12-16-28)29-23(10-14-26-29)27-24(30)13-17-33-21-7-3-2-4-8-21/h2-10,14,18,20H,11-13,15-17H2,1H3,(H,27,30)
InChIKeyOHMNFWZFICRQPH-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.78
Rot. Bonds8

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

N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (PubChem CID 24791326) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
PubChem CID24791326
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCOc1cccc(C(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c1
InChIInChI=1S/C25H28N4O4/c1-32-22-9-5-6-19(18-22)25(31)28-15-11-20(12-16-28)29-23(10-14-26-29)27-24(30)13-17-33-21-7-3-2-4-8-21/h2-10,14,18,20H,11-13,15-17H2,1H3,(H,27,30)
InChIKeyOHMNFWZFICRQPH-UHFFFAOYSA-N
XLogP3.78
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (CID 24791326) is N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is COc1cccc(C(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c1.
What is the InChIKey of N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The InChIKey is OHMNFWZFICRQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-32-22-9-5-6-19(18-22)25(31)28-15-11-20(12-16-28)29-23(10-14-26-29)27-24(30)13-17-33-21-7-3-2-4-8-21/h2-10,14,18,20H,11-13,15-17H2,1H3,(H,27,30).
What are the key properties of N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide has a molecular weight of 448.52 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 24791326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).