1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide

C11H13BrClN3O — CID 45274281

IUPAC1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C11H13BrClN3O/c12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17/h5-7H,1-4H2,(H2,14,17)
InChIKeyJQEWYLWTEUIDCC-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.20
Rot. Bonds2

About 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide

1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 45274281) has the molecular formula C11H13BrClN3O and a molecular weight of 318.60 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide
PubChem CID45274281
Molecular FormulaC11H13BrClN3O
Molecular Weight318.60 g/mol
Exact Mass316.99
IUPAC Name1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C11H13BrClN3O/c12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17/h5-7H,1-4H2,(H2,14,17)
InChIKeyJQEWYLWTEUIDCC-UHFFFAOYSA-N
XLogP2.20
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide (CID 45274281) is 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide is NC(=O)C1CCN(c2c(Cl)cncc2Br)CC1.
What is the InChIKey of 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is JQEWYLWTEUIDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3O/c12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17/h5-7H,1-4H2,(H2,14,17).
What are the key properties of 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide?
1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 318.60 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 45274281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).