2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide

C20H23BrN2O — CID 130407618

IUPAC2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1(c2ccc(Br)cc2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H23BrN2O/c21-18-9-7-17(8-10-18)20(13-19(22)24)11-4-12-23(15-20)14-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H2,22,24)
InChIKeyAZDBZKSEHXYICM-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.86
Rot. Bonds5

About 2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide

2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide (PubChem CID 130407618) has the molecular formula C20H23BrN2O and a molecular weight of 387.32 g/mol. Its IUPAC name is 2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide
PubChem CID130407618
Molecular FormulaC20H23BrN2O
Molecular Weight387.32 g/mol
Exact Mass386.10
IUPAC Name2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1(c2ccc(Br)cc2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H23BrN2O/c21-18-9-7-17(8-10-18)20(13-19(22)24)11-4-12-23(15-20)14-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H2,22,24)
InChIKeyAZDBZKSEHXYICM-UHFFFAOYSA-N
XLogP3.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
1-benzyl-4-(4-bromophenyl)piperidin-4-amine
CID 72698436
N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 167358492
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
CID 130137250
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
ethyl 4-(3-amino-1-benzylpiperidin-3-yl)benzoate
CID 130407925
2-(1-iodo-4-phenylpiperidin-4-yl)acetamide
CID 138702076
1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine
CID 174819017
(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
CID 15517982

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide (CID 130407618) is 2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide is NC(=O)CC1(c2ccc(Br)cc2)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide?
The InChIKey is AZDBZKSEHXYICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O/c21-18-9-7-17(8-10-18)20(13-19(22)24)11-4-12-23(15-20)14-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H2,22,24).
What are the key properties of 2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide?
2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide has a molecular weight of 387.32 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 130407618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).