4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide

C15H19BrN2O3 — CID 62896622

IUPAC4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide
SMILESO=C1CCC(NC(=O)CCCOc2ccc(Br)cc2)CN1
InChIInChI=1S/C15H19BrN2O3/c16-11-3-6-13(7-4-11)21-9-1-2-15(20)18-12-5-8-14(19)17-10-12/h3-4,6-7,12H,1-2,5,8-10H2,(H,17,19)(H,18,20)
InChIKeyRELVHDXNGZZKQL-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.00
Rot. Bonds6

About 4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide

4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide (PubChem CID 62896622) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide
PubChem CID62896622
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide
SMILESO=C1CCC(NC(=O)CCCOc2ccc(Br)cc2)CN1
InChIInChI=1S/C15H19BrN2O3/c16-11-3-6-13(7-4-11)21-9-1-2-15(20)18-12-5-8-14(19)17-10-12/h3-4,6-7,12H,1-2,5,8-10H2,(H,17,19)(H,18,20)
InChIKeyRELVHDXNGZZKQL-UHFFFAOYSA-N
XLogP2.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide
CID 55210132
4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide
CID 62490445
3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide
CID 62898121
5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424621
3-(4-methoxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 62490109
2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide
CID 63661589
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078
4-(4-fluorophenoxy)-N-piperidin-4-ylbutanamide
CID 110464778
4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide
CID 60616890
3-(2-hydroxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 55211402
3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide
CID 99782848
3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide
CID 62896998

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide (CID 62896622) is 4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide is O=C1CCC(NC(=O)CCCOc2ccc(Br)cc2)CN1.
What is the InChIKey of 4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide?
The InChIKey is RELVHDXNGZZKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c16-11-3-6-13(7-4-11)21-9-1-2-15(20)18-12-5-8-14(19)17-10-12/h3-4,6-7,12H,1-2,5,8-10H2,(H,17,19)(H,18,20).
What are the key properties of 4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide?
4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide has a molecular weight of 355.23 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide is sourced from PubChem (CID 62896622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).