N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide

C20H24BrN2O+ — CID 9208935

IUPACN-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NC1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C20H23BrN2O/c21-18-8-6-16(7-9-18)14-20(24)22-19-10-12-23(13-11-19)15-17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,22,24)/p+1
InChIKeyPKAIJGXARQUEAV-UHFFFAOYSA-O
MW388.33 g/mol
LogP2.36
Rot. Bonds5

About N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide

N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide (PubChem CID 9208935) has the molecular formula C20H24BrN2O+ and a molecular weight of 388.33 g/mol. Its IUPAC name is N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide
PubChem CID9208935
Molecular FormulaC20H24BrN2O+
Molecular Weight388.33 g/mol
Exact Mass387.11
IUPAC NameN-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NC1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C20H23BrN2O/c21-18-8-6-16(7-9-18)14-20(24)22-19-10-12-23(13-11-19)15-17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,22,24)/p+1
InChIKeyPKAIJGXARQUEAV-UHFFFAOYSA-O
XLogP2.36
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-benzylpiperidin-1-ium-4-yl)-2-phenylsulfanylacetamide
CID 7354720
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-oxo-4-phenylbutanamide
CID 8590176
N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 2534255
ethyl 1-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8773087
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide
CID 8909675
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide
CID 112752975
1-amino-3-(1-benzylpiperidin-1-ium-4-yl)thiourea
CID 2429001
N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9451484
N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide
CID 7411522
[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8641765

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide (CID 9208935) is N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide is O=C(Cc1ccc(Br)cc1)NC1CC[NH+](Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide?
The InChIKey is PKAIJGXARQUEAV-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23BrN2O/c21-18-8-6-16(7-9-18)14-20(24)22-19-10-12-23(13-11-19)15-17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,22,24)/p+1.
What are the key properties of N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide?
N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide has a molecular weight of 388.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 9208935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).