N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide

C16H23BrN2O — CID 81291964

IUPACN-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide
SMILESCCc1cc(Br)ccc1NC(=O)CCC1CCNCC1
InChIInChI=1S/C16H23BrN2O/c1-2-13-11-14(17)4-5-15(13)19-16(20)6-3-12-7-9-18-10-8-12/h4-5,11-12,18H,2-3,6-10H2,1H3,(H,19,20)
InChIKeyYAXBHLOMGRJMHY-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.73
Rot. Bonds5

About N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide

N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide (PubChem CID 81291964) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide
PubChem CID81291964
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide
SMILESCCc1cc(Br)ccc1NC(=O)CCC1CCNCC1
InChIInChI=1S/C16H23BrN2O/c1-2-13-11-14(17)4-5-15(13)19-16(20)6-3-12-7-9-18-10-8-12/h4-5,11-12,18H,2-3,6-10H2,1H3,(H,19,20)
InChIKeyYAXBHLOMGRJMHY-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide
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3-piperidin-4-yl-N-(2-propylphenyl)propanamide;hydrochloride
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N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
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N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
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N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
CID 107583461
N-(2-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62210327
N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 102853722
N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide
CID 81291962
N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide
CID 81003248
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119673443

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide (CID 81291964) is N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide is CCc1cc(Br)ccc1NC(=O)CCC1CCNCC1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is YAXBHLOMGRJMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-2-13-11-14(17)4-5-15(13)19-16(20)6-3-12-7-9-18-10-8-12/h4-5,11-12,18H,2-3,6-10H2,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide?
N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 339.28 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 81291964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).