N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide

C21H24BrN3O2 — CID 34436116

IUPACN-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cc2ccc(Br)cc2)CC1)NCc1ccccc1
InChIInChI=1S/C21H24BrN3O2/c22-19-8-6-17(7-9-19)14-21(27)25-12-10-24(11-13-25)16-20(26)23-15-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,23,26)
InChIKeyDQJDTMSUIQRICG-UHFFFAOYSA-N
MW430.35 g/mol
LogP2.45
Rot. Bonds6

About N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide (PubChem CID 34436116) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide
PubChem CID34436116
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC NameN-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cc2ccc(Br)cc2)CC1)NCc1ccccc1
InChIInChI=1S/C21H24BrN3O2/c22-19-8-6-17(7-9-19)14-21(27)25-12-10-24(11-13-25)16-20(26)23-15-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,23,26)
InChIKeyDQJDTMSUIQRICG-UHFFFAOYSA-N
XLogP2.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]acetamide
CID 55651949
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CID 30636341
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271
N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
CID 46700155
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide
CID 119840154
N-benzyl-2-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 30457204
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 55495246
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119946370
N-[2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 18140475
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide (CID 34436116) is N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)Cc2ccc(Br)cc2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is DQJDTMSUIQRICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c22-19-8-6-17(7-9-19)14-21(27)25-12-10-24(11-13-25)16-20(26)23-15-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,23,26).
What are the key properties of N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 430.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 34436116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).