2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

C15H19BrN2O2 — CID 112990956

IUPAC2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)NCC(=O)N1CCCCC1
InChIInChI=1S/C15H19BrN2O2/c16-13-6-4-5-12(9-13)10-14(19)17-11-15(20)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8,10-11H2,(H,17,19)
InChIKeyNEPDHCJAKSCHAP-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.12
Rot. Bonds4

About 2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (PubChem CID 112990956) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
PubChem CID112990956
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)NCC(=O)N1CCCCC1
InChIInChI=1S/C15H19BrN2O2/c16-13-6-4-5-12(9-13)10-14(19)17-11-15(20)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8,10-11H2,(H,17,19)
InChIKeyNEPDHCJAKSCHAP-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712327
N-[(3-bromophenyl)methyl]azepane-1-carboxamide
CID 60605583
2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 112990865
2-(3-bromophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 112996350
2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 112990967
N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964073
2-(2-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712323
N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
CID 119404421
3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 103908567
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
2-(2-aminophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 115597732
5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112683751

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (CID 112990956) is 2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is O=C(Cc1cccc(Br)c1)NCC(=O)N1CCCCC1.
What is the InChIKey of 2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The InChIKey is NEPDHCJAKSCHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c16-13-6-4-5-12(9-13)10-14(19)17-11-15(20)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8,10-11H2,(H,17,19).
What are the key properties of 2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide has a molecular weight of 339.23 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 112990956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).