4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide

C19H21Br2N3O2 — CID 11648712

IUPAC4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(Cc2ccc(Br)c(Br)c2)CC1
InChIInChI=1S/C19H21Br2N3O2/c1-26-18-5-3-2-4-17(18)22-19(25)24-10-8-23(9-11-24)13-14-6-7-15(20)16(21)12-14/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyLEOWXRVFPJCJOW-UHFFFAOYSA-N
MW483.20 g/mol
LogP4.57
Rot. Bonds4

About 4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide

4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 11648712) has the molecular formula C19H21Br2N3O2 and a molecular weight of 483.20 g/mol. Its IUPAC name is 4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID11648712
Molecular FormulaC19H21Br2N3O2
Molecular Weight483.20 g/mol
Exact Mass481.00
IUPAC Name4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(Cc2ccc(Br)c(Br)c2)CC1
InChIInChI=1S/C19H21Br2N3O2/c1-26-18-5-3-2-4-17(18)22-19(25)24-10-8-23(9-11-24)13-14-6-7-15(20)16(21)12-14/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyLEOWXRVFPJCJOW-UHFFFAOYSA-N
XLogP4.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.20
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-Dibenzyl-3-(2-methoxyphenyl)urea
CID 3595656
4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10939222
4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 1328402
N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 808207
6-{2-[(3-bromobenzyl)amino]phenoxy}-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 4588982
N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 5034698
N-{4-[(4-ethyl-1-piperazinyl)methyl]phenyl}-N'-(2-methoxyphenyl)urea
CID 5307237
N-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CID 2810461
N-(2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 1070816
N-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-N'-(2-methylphenyl)urea
CID 3243909
4-[(3,4-dibromophenyl)methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 11691539
4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 11691540

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide (CID 11648712) is 4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(Cc2ccc(Br)c(Br)c2)CC1.
What is the InChIKey of 4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is LEOWXRVFPJCJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br2N3O2/c1-26-18-5-3-2-4-17(18)22-19(25)24-10-8-23(9-11-24)13-14-6-7-15(20)16(21)12-14/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of 4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 483.20 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dibromophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11648712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).