5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride

C16H24BrClN2O2 — CID 119424621

IUPAC5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride
SMILESCl.O=C(CCCCOc1ccc(Br)cc1)NC1CCCNC1
InChIInChI=1S/C16H23BrN2O2.ClH/c17-13-6-8-15(9-7-13)21-11-2-1-5-16(20)19-14-4-3-10-18-12-14;/h6-9,14,18H,1-5,10-12H2,(H,19,20);1H
InChIKeyADGMSHYVKMVDGL-UHFFFAOYSA-N
MW391.74 g/mol
LogP3.29
Rot. Bonds7

About 5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride

5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride (PubChem CID 119424621) has the molecular formula C16H24BrClN2O2 and a molecular weight of 391.74 g/mol. Its IUPAC name is 5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride.

Molecular Properties

Compound Name5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride
PubChem CID119424621
Molecular FormulaC16H24BrClN2O2
Molecular Weight391.74 g/mol
Exact Mass390.07
IUPAC Name5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride
SMILESCl.O=C(CCCCOc1ccc(Br)cc1)NC1CCCNC1
InChIInChI=1S/C16H23BrN2O2.ClH/c17-13-6-8-15(9-7-13)21-11-2-1-5-16(20)19-14-4-3-10-18-12-14;/h6-9,14,18H,1-5,10-12H2,(H,19,20);1H
InChIKeyADGMSHYVKMVDGL-UHFFFAOYSA-N
XLogP3.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.74
LogP ≤ 53.29
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

4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119424890
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119451061
N-piperidin-3-yl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119427303
4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide
CID 62896622
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072
4-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylbutanamide
CID 119454241
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453244
4-(4-fluorophenoxy)-N-piperidin-4-ylbutanamide
CID 110464778
2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
CID 119386339
3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119424304
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
CID 119426453

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride?
The IUPAC name of 5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride (CID 119424621) is 5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride.
What is the SMILES notation for 5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride?
The canonical SMILES for 5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride is Cl.O=C(CCCCOc1ccc(Br)cc1)NC1CCCNC1.
What is the InChIKey of 5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride?
The InChIKey is ADGMSHYVKMVDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2.ClH/c17-13-6-8-15(9-7-13)21-11-2-1-5-16(20)19-14-4-3-10-18-12-14;/h6-9,14,18H,1-5,10-12H2,(H,19,20);1H.
What are the key properties of 5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride?
5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride has a molecular weight of 391.74 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride is sourced from PubChem (CID 119424621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).