1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide

C18H19BrClN3O2 — CID 155546978

IUPAC1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ncccc3Br)CC2)cc1Cl
InChIInChI=1S/C18H19BrClN3O2/c1-25-16-5-4-13(11-15(16)20)22-18(24)12-6-9-23(10-7-12)17-14(19)3-2-8-21-17/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,22,24)
InChIKeyJXACRVBSIGYPHN-UHFFFAOYSA-N
MW424.73 g/mol
LogP4.36
Rot. Bonds4

About 1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide

1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 155546978) has the molecular formula C18H19BrClN3O2 and a molecular weight of 424.73 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
PubChem CID155546978
Molecular FormulaC18H19BrClN3O2
Molecular Weight424.73 g/mol
Exact Mass423.03
IUPAC Name1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ncccc3Br)CC2)cc1Cl
InChIInChI=1S/C18H19BrClN3O2/c1-25-16-5-4-13(11-15(16)20)22-18(24)12-6-9-23(10-7-12)17-14(19)3-2-8-21-17/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,22,24)
InChIKeyJXACRVBSIGYPHN-UHFFFAOYSA-N
XLogP4.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.73
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729
(2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 155512656
N-(3-chloro-4-methoxyphenyl)-1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 155537366
N-(3-chloro-4-methoxyphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333880
N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide
CID 155544056
N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 155539322
N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
CID 155566952
N-(3-chloro-4-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170445
N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126029508
(2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 155538063
N-(3-chloro-4-methoxyphenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30274478
N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 5309136

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide (CID 155546978) is 1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3ncccc3Br)CC2)cc1Cl.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is JXACRVBSIGYPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3O2/c1-25-16-5-4-13(11-15(16)20)22-18(24)12-6-9-23(10-7-12)17-14(19)3-2-8-21-17/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,22,24).
What are the key properties of 1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide?
1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 424.73 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 155546978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).