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

C25H28N4O3 — CID 24793108

IUPACN-[2-[1-(2-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCc1ccccc1C(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C25H28N4O3/c1-19-7-5-6-10-22(19)25(31)28-16-12-20(13-17-28)29-23(11-15-26-29)27-24(30)14-18-32-21-8-3-2-4-9-21/h2-11,15,20H,12-14,16-18H2,1H3,(H,27,30)
InChIKeyCJDZKIJJNIYOEV-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.08
Rot. Bonds7

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

N-[2-[1-(2-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (PubChem CID 24793108) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[2-[1-(2-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[1-(2-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
PubChem CID24793108
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[2-[1-(2-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCc1ccccc1C(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C25H28N4O3/c1-19-7-5-6-10-22(19)25(31)28-16-12-20(13-17-28)29-23(11-15-26-29)27-24(30)14-18-32-21-8-3-2-4-9-21/h2-11,15,20H,12-14,16-18H2,1H3,(H,27,30)
InChIKeyCJDZKIJJNIYOEV-UHFFFAOYSA-N
XLogP4.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[1-(2-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (CID 24793108) is N-[2-[1-(2-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[1-(2-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[1-(2-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is Cc1ccccc1C(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-(2-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The InChIKey is CJDZKIJJNIYOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-19-7-5-6-10-22(19)25(31)28-16-12-20(13-17-28)29-23(11-15-26-29)27-24(30)14-18-32-21-8-3-2-4-9-21/h2-11,15,20H,12-14,16-18H2,1H3,(H,27,30).
What are the key properties of N-[2-[1-(2-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
N-[2-[1-(2-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide has a molecular weight of 432.52 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 24793108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).