2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide

C19H20BrN3O2 — CID 108924891

IUPAC2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccccc1Br)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C19H20BrN3O2/c20-17-6-2-1-4-14(17)12-18(24)22-16-7-10-23(11-8-16)19(25)15-5-3-9-21-13-15/h1-6,9,13,16H,7-8,10-12H2,(H,22,24)
InChIKeyRWEPSDUSLDBDKS-UHFFFAOYSA-N
MW402.29 g/mol
LogP2.81
Rot. Bonds4

About 2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide

2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 108924891) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID108924891
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC Name2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccccc1Br)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C19H20BrN3O2/c20-17-6-2-1-4-14(17)12-18(24)22-16-7-10-23(11-8-16)19(25)15-5-3-9-21-13-15/h1-6,9,13,16H,7-8,10-12H2,(H,22,24)
InChIKeyRWEPSDUSLDBDKS-UHFFFAOYSA-N
XLogP2.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 108924441
2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108551944
2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108557029
2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108549584
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821121
1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821123
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
2,6-dimethoxy-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 108549740
(E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
CID 108924924

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide (CID 108924891) is 2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide is O=C(Cc1ccccc1Br)NC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is RWEPSDUSLDBDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c20-17-6-2-1-4-14(17)12-18(24)22-16-7-10-23(11-8-16)19(25)15-5-3-9-21-13-15/h1-6,9,13,16H,7-8,10-12H2,(H,22,24).
What are the key properties of 2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 402.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108924891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).