N-(3-bromophenyl)-2-piperidin-1-ylacetamide

C13H17BrN2O — CID 969575

IUPACN-(3-bromophenyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O/c14-11-5-4-6-12(9-11)15-13(17)10-16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2,(H,15,17)
InChIKeyURDVZFKXZGIHTD-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.87
Rot. Bonds3

About N-(3-bromophenyl)-2-piperidin-1-ylacetamide

N-(3-bromophenyl)-2-piperidin-1-ylacetamide (PubChem CID 969575) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-piperidin-1-ylacetamide
PubChem CID969575
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-(3-bromophenyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O/c14-11-5-4-6-12(9-11)15-13(17)10-16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2,(H,15,17)
InChIKeyURDVZFKXZGIHTD-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 687138
N-(3-Bromophenyl)acetamide
CID 12123
3'-Bromopropionanilide
CID 806279
Nbd-557
CID 5279270
N-{2-[(3-bromophenyl)-phenylamino]ethyl}acetamide
CID 24750191
N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 535863
N-(4-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 1149581
2-amino-N-(4-bromophenyl)acetamide
CID 871334
N-Phenyl-1-piperidineacetamide
CID 78402
1-Piperazineacetamide, N-phenyl-
CID 218560
6-Bromo-1,2,3,4-tetrahydroquinoxalin-2-one
CID 66911307
N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide
CID 1832909

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(3-bromophenyl)-2-piperidin-1-ylacetamide (CID 969575) is N-(3-bromophenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-piperidin-1-ylacetamide?
The InChIKey is URDVZFKXZGIHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-11-5-4-6-12(9-11)15-13(17)10-16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2,(H,15,17).
What are the key properties of N-(3-bromophenyl)-2-piperidin-1-ylacetamide?
N-(3-bromophenyl)-2-piperidin-1-ylacetamide has a molecular weight of 297.20 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 969575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).