4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide

C20H20F3N3O2 — CID 1444048

IUPAC4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCC(=O)NC1(c2ccc(F)cc2)CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H20F3N3O2/c1-13(27)25-20(14-2-4-15(21)5-3-14)8-10-26(11-9-20)19(28)24-18-7-6-16(22)12-17(18)23/h2-7,12H,8-11H2,1H3,(H,24,28)(H,25,27)
InChIKeyNNODQMUJIBPBLW-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.76
Rot. Bonds3

About 4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide

4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 1444048) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID1444048
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCC(=O)NC1(c2ccc(F)cc2)CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H20F3N3O2/c1-13(27)25-20(14-2-4-15(21)5-3-14)8-10-26(11-9-20)19(28)24-18-7-6-16(22)12-17(18)23/h2-7,12H,8-11H2,1H3,(H,24,28)(H,25,27)
InChIKeyNNODQMUJIBPBLW-UHFFFAOYSA-N
XLogP3.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide (CID 1444048) is 4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide is CC(=O)NC1(c2ccc(F)cc2)CCN(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of 4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is NNODQMUJIBPBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-13(27)25-20(14-2-4-15(21)5-3-14)8-10-26(11-9-20)19(28)24-18-7-6-16(22)12-17(18)23/h2-7,12H,8-11H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide?
4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2,4-difluorophenyl)-4-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 1444048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).