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

C24H29FN4O4 — CID 6487339

IUPAC4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(NC(=O)C(Cc2ccccc2F)NC(C)=O)CC1
InChIInChI=1S/C24H29FN4O4/c1-16(30)26-21(15-17-7-3-4-8-19(17)25)23(31)27-18-11-13-29(14-12-18)24(32)28-20-9-5-6-10-22(20)33-2/h3-10,18,21H,11-15H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyVNYHPWPDLWZKHV-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.69
Rot. Bonds7

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

4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-(2-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 6487339) has the molecular formula C24H29FN4O4 and a molecular weight of 456.52 g/mol. Its IUPAC name is 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-(2-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-(2-methoxyphenyl)piperidine-1-carboxamide
PubChem CID6487339
Molecular FormulaC24H29FN4O4
Molecular Weight456.52 g/mol
Exact Mass456.22
IUPAC Name4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(NC(=O)C(Cc2ccccc2F)NC(C)=O)CC1
InChIInChI=1S/C24H29FN4O4/c1-16(30)26-21(15-17-7-3-4-8-19(17)25)23(31)27-18-11-13-29(14-12-18)24(32)28-20-9-5-6-10-22(20)33-2/h3-10,18,21H,11-15H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyVNYHPWPDLWZKHV-UHFFFAOYSA-N
XLogP2.69
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.69
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-(2-fluorophenyl)propanoyl]amino]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-(2-methoxyphenyl)piperidine-1-carboxamide (CID 6487339) is 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-(2-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-(2-methoxyphenyl)piperidine-1-carboxamide is COc1ccccc1NC(=O)N1CCC(NC(=O)C(Cc2ccccc2F)NC(C)=O)CC1.
What is the InChIKey of 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is VNYHPWPDLWZKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O4/c1-16(30)26-21(15-17-7-3-4-8-19(17)25)23(31)27-18-11-13-29(14-12-18)24(32)28-20-9-5-6-10-22(20)33-2/h3-10,18,21H,11-15H2,1-2H3,(H,26,30)(H,27,31)(H,28,32).
What are the key properties of 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-(2-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-(2-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 6487339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).