4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide

C19H21BrN2O2 — CID 121141656

IUPAC4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1
InChIInChI=1S/C19H21BrN2O2/c1-24-18-3-2-12-22(13-18)17-10-8-16(9-11-17)21-19(23)14-4-6-15(20)7-5-14/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyOPTOTJBJYWSPIR-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.32
Rot. Bonds4

About 4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide

4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide (PubChem CID 121141656) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
PubChem CID121141656
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1
InChIInChI=1S/C19H21BrN2O2/c1-24-18-3-2-12-22(13-18)17-10-8-16(9-11-17)21-19(23)14-4-6-15(20)7-5-14/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyOPTOTJBJYWSPIR-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141499
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide
CID 121141605
4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141504
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
CID 97427824
2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141454
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569
3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 121141419
1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one
CID 114065869

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide (CID 121141656) is 4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide is COC1CCCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1.
What is the InChIKey of 4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
The InChIKey is OPTOTJBJYWSPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-24-18-3-2-12-22(13-18)17-10-8-16(9-11-17)21-19(23)14-4-6-15(20)7-5-14/h4-11,18H,2-3,12-13H2,1H3,(H,21,23).
What are the key properties of 4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide has a molecular weight of 389.29 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 121141656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).