4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide

C16H23BrN2O2 — CID 120554975

IUPAC4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide
SMILESCC1CNCCC1NC(=O)CCCOc1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-12-11-18-8-7-15(12)19-16(20)6-3-9-21-14-5-2-4-13(17)10-14/h2,4-5,10,12,15,18H,3,6-9,11H2,1H3,(H,19,20)
InChIKeyRZFPKHBCPSLEQB-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.72
Rot. Bonds6

About 4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide

4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide (PubChem CID 120554975) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide
PubChem CID120554975
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide
SMILESCC1CNCCC1NC(=O)CCCOc1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-12-11-18-8-7-15(12)19-16(20)6-3-9-21-14-5-2-4-13(17)10-14/h2,4-5,10,12,15,18H,3,6-9,11H2,1H3,(H,19,20)
InChIKeyRZFPKHBCPSLEQB-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.72
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

3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730
4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120555351
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554616
3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 120557025
3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553278
2-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556862
3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555078
4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552447
N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 120555490
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 120556407

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide (CID 120554975) is 4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide is CC1CNCCC1NC(=O)CCCOc1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide?
The InChIKey is RZFPKHBCPSLEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-12-11-18-8-7-15(12)19-16(20)6-3-9-21-14-5-2-4-13(17)10-14/h2,4-5,10,12,15,18H,3,6-9,11H2,1H3,(H,19,20).
What are the key properties of 4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide?
4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide has a molecular weight of 355.28 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 120554975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).