1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

C15H19F2N3O2 — CID 771678

IUPAC1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCC(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H19F2N3O2/c16-12-2-1-11(9-13(12)17)19-14(21)5-8-20-6-3-10(4-7-20)15(18)22/h1-2,9-10H,3-8H2,(H2,18,22)(H,19,21)
InChIKeyAQZOIOYKHMLLNV-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.49
Rot. Bonds5

About 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 771678) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
PubChem CID771678
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCC(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H19F2N3O2/c16-12-2-1-11(9-13(12)17)19-14(21)5-8-20-6-3-10(4-7-20)15(18)22/h1-2,9-10H,3-8H2,(H2,18,22)(H,19,21)
InChIKeyAQZOIOYKHMLLNV-UHFFFAOYSA-N
XLogP1.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide (CID 771678) is 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCC(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is AQZOIOYKHMLLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c16-12-2-1-11(9-13(12)17)19-14(21)5-8-20-6-3-10(4-7-20)15(18)22/h1-2,9-10H,3-8H2,(H2,18,22)(H,19,21).
What are the key properties of 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide?
1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 311.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 771678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).