2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide

C14H18BrN3O3 — CID 103754705

IUPAC2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESCOCC(=O)N1CCC(NC(=O)c2ccnc(Br)c2)CC1
InChIInChI=1S/C14H18BrN3O3/c1-21-9-13(19)18-6-3-11(4-7-18)17-14(20)10-2-5-16-12(15)8-10/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,17,20)
InChIKeyYPHFSAMVOTWNLA-UHFFFAOYSA-N
MW356.22 g/mol
LogP1.21
Rot. Bonds4

About 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide

2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide (PubChem CID 103754705) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide
PubChem CID103754705
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESCOCC(=O)N1CCC(NC(=O)c2ccnc(Br)c2)CC1
InChIInChI=1S/C14H18BrN3O3/c1-21-9-13(19)18-6-3-11(4-7-18)17-14(20)10-2-5-16-12(15)8-10/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,17,20)
InChIKeyYPHFSAMVOTWNLA-UHFFFAOYSA-N
XLogP1.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018
N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 103752412
N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554843
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549152
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554750
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 62786842
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559154
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 103752814
4-ethoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108551932
N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-(pyridine-2-carbonylamino)pyrazine-2-carboxamide
CID 42866695
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
2-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116340

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide (CID 103754705) is 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide is COCC(=O)N1CCC(NC(=O)c2ccnc(Br)c2)CC1.
What is the InChIKey of 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide?
The InChIKey is YPHFSAMVOTWNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-21-9-13(19)18-6-3-11(4-7-18)17-14(20)10-2-5-16-12(15)8-10/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,17,20).
What are the key properties of 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide?
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide has a molecular weight of 356.22 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 103754705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).