methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate

C14H16BrNO3 — CID 125455997

IUPACmethyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate
SMILESCOC(=O)CN1CC[C@@H](c2ccc(Br)cc2)CC1=O
InChIInChI=1S/C14H16BrNO3/c1-19-14(18)9-16-7-6-11(8-13(16)17)10-2-4-12(15)5-3-10/h2-5,11H,6-9H2,1H3/t11-/m1/s1
InChIKeyFDBVFXWQEAIWHH-LLVKDONJSA-N
MW326.19 g/mol
LogP2.33
Rot. Bonds3

About methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate

methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate (PubChem CID 125455997) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate
PubChem CID125455997
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Namemethyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate
SMILESCOC(=O)CN1CC[C@@H](c2ccc(Br)cc2)CC1=O
InChIInChI=1S/C14H16BrNO3/c1-19-14(18)9-16-7-6-11(8-13(16)17)10-2-4-12(15)5-3-10/h2-5,11H,6-9H2,1H3/t11-/m1/s1
InChIKeyFDBVFXWQEAIWHH-LLVKDONJSA-N
XLogP2.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4S)-4-(3-nitrophenyl)-2-oxopiperidin-1-yl]acetate
CID 125457386
methyl 2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 86316250
methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
CID 170372389
methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate
CID 59102576
4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid
CID 90367853
methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
CID 104511120
methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate
CID 117030355
methyl 2-(4-bromophenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 102437817
methyl 2-[[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 710148
ethane;methyl 4-bromobenzoate;methyl 4-cyclopropylbenzoate
CID 144872712
methyl 2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetate
CID 83983260
methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate
CID 178128854

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate?
The IUPAC name of methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate (CID 125455997) is methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate is COC(=O)CN1CC[C@@H](c2ccc(Br)cc2)CC1=O.
What is the InChIKey of methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate?
The InChIKey is FDBVFXWQEAIWHH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-19-14(18)9-16-7-6-11(8-13(16)17)10-2-4-12(15)5-3-10/h2-5,11H,6-9H2,1H3/t11-/m1/s1.
What are the key properties of methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate?
methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate has a molecular weight of 326.19 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate is sourced from PubChem (CID 125455997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).