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

C19H22BrN3O2 — CID 133341587

IUPAC1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3cncc(Br)c3)CC2)cc1
InChIInChI=1S/C19H22BrN3O2/c1-25-18-4-2-14(3-5-18)11-22-19(24)15-6-8-23(9-7-15)17-10-16(20)12-21-13-17/h2-5,10,12-13,15H,6-9,11H2,1H3,(H,22,24)
InChIKeyWPVMEAUWHHSHHO-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.39
Rot. Bonds5

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

1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 133341587) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID133341587
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3cncc(Br)c3)CC2)cc1
InChIInChI=1S/C19H22BrN3O2/c1-25-18-4-2-14(3-5-18)11-22-19(24)15-6-8-23(9-7-15)17-10-16(20)12-21-13-17/h2-5,10,12-13,15H,6-9,11H2,1H3,(H,22,24)
InChIKeyWPVMEAUWHHSHHO-UHFFFAOYSA-N
XLogP3.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 133318639
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
1-(6-bromo-1H-benzimidazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46359079
2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 134698273
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163
1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133485103
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165885
1-(cyclopropanecarbonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 46692059
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
CID 10882206

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 133341587) is 1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(c3cncc(Br)c3)CC2)cc1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is WPVMEAUWHHSHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-25-18-4-2-14(3-5-18)11-22-19(24)15-6-8-23(9-7-15)17-10-16(20)12-21-13-17/h2-5,10,12-13,15H,6-9,11H2,1H3,(H,22,24).
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 404.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 133341587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).