3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide

C14H16BrFN2O2 — CID 99782848

IUPAC3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide
SMILESO=C1CC[C@H](NC(=O)CCc2cc(F)ccc2Br)CN1
InChIInChI=1S/C14H16BrFN2O2/c15-12-4-2-10(16)7-9(12)1-5-14(20)18-11-3-6-13(19)17-8-11/h2,4,7,11H,1,3,5-6,8H2,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyKADBBFJXNAYNQM-NSHDSACASA-N
MW343.20 g/mol
LogP1.92
Rot. Bonds4

About 3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide

3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide (PubChem CID 99782848) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide
PubChem CID99782848
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide
SMILESO=C1CC[C@H](NC(=O)CCc2cc(F)ccc2Br)CN1
InChIInChI=1S/C14H16BrFN2O2/c15-12-4-2-10(16)7-9(12)1-5-14(20)18-11-3-6-13(19)17-8-11/h2,4,7,11H,1,3,5-6,8H2,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyKADBBFJXNAYNQM-NSHDSACASA-N
XLogP1.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide 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

3-(2-hydroxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 55211402
2-(2-fluorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490622
3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide
CID 62896998
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078
3-(4-methoxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 62490109
4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide
CID 62896622
3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide
CID 62490585
2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490404
5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 55210131
3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide
CID 62898121
2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide
CID 55210132
2-(4-acetamidophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62898113

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide (CID 99782848) is 3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide is O=C1CC[C@H](NC(=O)CCc2cc(F)ccc2Br)CN1.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide?
The InChIKey is KADBBFJXNAYNQM-NSHDSACASA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c15-12-4-2-10(16)7-9(12)1-5-14(20)18-11-3-6-13(19)17-8-11/h2,4,7,11H,1,3,5-6,8H2,(H,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of 3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide?
3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide has a molecular weight of 343.20 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide is sourced from PubChem (CID 99782848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).