4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide

C25H31FN4O4 — CID 6487344

IUPAC4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(NC(=O)C(Cc3cccc(F)c3)NC(C)=O)CC2)cc1
InChIInChI=1S/C25H31FN4O4/c1-3-34-22-9-7-20(8-10-22)29-25(33)30-13-11-21(12-14-30)28-24(32)23(27-17(2)31)16-18-5-4-6-19(26)15-18/h4-10,15,21,23H,3,11-14,16H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)
InChIKeyWWWPGHSFURSBPN-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.08
Rot. Bonds8

About 4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide

4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide (PubChem CID 6487344) has the molecular formula C25H31FN4O4 and a molecular weight of 470.55 g/mol. Its IUPAC name is 4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
PubChem CID6487344
Molecular FormulaC25H31FN4O4
Molecular Weight470.55 g/mol
Exact Mass470.23
IUPAC Name4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(NC(=O)C(Cc3cccc(F)c3)NC(C)=O)CC2)cc1
InChIInChI=1S/C25H31FN4O4/c1-3-34-22-9-7-20(8-10-22)29-25(33)30-13-11-21(12-14-30)28-24(32)23(27-17(2)31)16-18-5-4-6-19(26)15-18/h4-10,15,21,23H,3,11-14,16H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)
InChIKeyWWWPGHSFURSBPN-UHFFFAOYSA-N
XLogP3.08
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide (CID 6487344) is 4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC(NC(=O)C(Cc3cccc(F)c3)NC(C)=O)CC2)cc1.
What is the InChIKey of 4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is WWWPGHSFURSBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O4/c1-3-34-22-9-7-20(8-10-22)29-25(33)30-13-11-21(12-14-30)28-24(32)23(27-17(2)31)16-18-5-4-6-19(26)15-18/h4-10,15,21,23H,3,11-14,16H2,1-2H3,(H,27,31)(H,28,32)(H,29,33).
What are the key properties of 4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-(4-ethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 6487344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).