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

C19H21BrFN3O — CID 133359730

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1cc(Br)cnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21BrFN3O/c1-13-10-16(20)12-22-18(13)24-8-6-15(7-9-24)19(25)23-11-14-2-4-17(21)5-3-14/h2-5,10,12,15H,6-9,11H2,1H3,(H,23,25)
InChIKeyVFYPVDIBPWANBC-UHFFFAOYSA-N
MW406.30 g/mol
LogP3.82
Rot. Bonds4

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

1-(5-bromo-3-methyl-2-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 133359730) has the molecular formula C19H21BrFN3O and a molecular weight of 406.30 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID133359730
Molecular FormulaC19H21BrFN3O
Molecular Weight406.30 g/mol
Exact Mass405.09
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1cc(Br)cnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21BrFN3O/c1-13-10-16(20)12-22-18(13)24-8-6-15(7-9-24)19(25)23-11-14-2-4-17(21)5-3-14/h2-5,10,12,15H,6-9,11H2,1H3,(H,23,25)
InChIKeyVFYPVDIBPWANBC-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 133359730) is 1-(5-bromo-3-methyl-2-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is Cc1cc(Br)cnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is VFYPVDIBPWANBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN3O/c1-13-10-16(20)12-22-18(13)24-8-6-15(7-9-24)19(25)23-11-14-2-4-17(21)5-3-14/h2-5,10,12,15H,6-9,11H2,1H3,(H,23,25).
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-(5-bromo-3-methyl-2-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 406.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 133359730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).