1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C19H18BrClFN3O2 — CID 55923769

IUPAC1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C19H18BrClFN3O2/c20-15-9-12(1-3-16(15)22)10-18(26)25-7-5-13(6-8-25)19(27)24-17-4-2-14(21)11-23-17/h1-4,9,11,13H,5-8,10H2,(H,23,24,27)
InChIKeyPMGYSHJYHUCOPE-UHFFFAOYSA-N
MW454.73 g/mol
LogP4.06
Rot. Bonds4

About 1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55923769) has the molecular formula C19H18BrClFN3O2 and a molecular weight of 454.73 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55923769
Molecular FormulaC19H18BrClFN3O2
Molecular Weight454.73 g/mol
Exact Mass453.03
IUPAC Name1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C19H18BrClFN3O2/c20-15-9-12(1-3-16(15)22)10-18(26)25-7-5-13(6-8-25)19(27)24-17-4-2-14(21)11-23-17/h1-4,9,11,13H,5-8,10H2,(H,23,24,27)
InChIKeyPMGYSHJYHUCOPE-UHFFFAOYSA-N
XLogP4.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.73
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 55923769) is 1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is PMGYSHJYHUCOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClFN3O2/c20-15-9-12(1-3-16(15)22)10-18(26)25-7-5-13(6-8-25)19(27)24-17-4-2-14(21)11-23-17/h1-4,9,11,13H,5-8,10H2,(H,23,24,27).
What are the key properties of 1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 454.73 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55923769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).