1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C19H21BrFN3O — CID 55922429

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(Cc3ccc(F)cc3Br)CC2)c1
InChIInChI=1S/C19H21BrFN3O/c1-13-4-7-22-18(10-13)23-19(25)14-5-8-24(9-6-14)12-15-2-3-16(21)11-17(15)20/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,22,23,25)
InChIKeyMWHPBEHKKDXTMK-UHFFFAOYSA-N
MW406.30 g/mol
LogP4.14
Rot. Bonds4

About 1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55922429) has the molecular formula C19H21BrFN3O and a molecular weight of 406.30 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55922429
Molecular FormulaC19H21BrFN3O
Molecular Weight406.30 g/mol
Exact Mass405.09
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(Cc3ccc(F)cc3Br)CC2)c1
InChIInChI=1S/C19H21BrFN3O/c1-13-4-7-22-18(10-13)23-19(25)14-5-8-24(9-6-14)12-15-2-3-16(21)11-17(15)20/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,22,23,25)
InChIKeyMWHPBEHKKDXTMK-UHFFFAOYSA-N
XLogP4.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55922429) is 1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(Cc3ccc(F)cc3Br)CC2)c1.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is MWHPBEHKKDXTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN3O/c1-13-4-7-22-18(10-13)23-19(25)14-5-8-24(9-6-14)12-15-2-3-16(21)11-17(15)20/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,22,23,25).
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 406.30 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55922429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).