2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide

C14H18Br3N3O — CID 80547446

IUPAC2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide
SMILESCC(C)(C(=O)Nc1c(Br)cc(Br)cc1Br)N1CCNCC1
InChIInChI=1S/C14H18Br3N3O/c1-14(2,20-5-3-18-4-6-20)13(21)19-12-10(16)7-9(15)8-11(12)17/h7-8,18H,3-6H2,1-2H3,(H,19,21)
InChIKeyCBKRNRYMAMPHAG-UHFFFAOYSA-N
MW484.03 g/mol
LogP3.60
Rot. Bonds3

About 2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide

2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide (PubChem CID 80547446) has the molecular formula C14H18Br3N3O and a molecular weight of 484.03 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide
PubChem CID80547446
Molecular FormulaC14H18Br3N3O
Molecular Weight484.03 g/mol
Exact Mass480.90
IUPAC Name2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide
SMILESCC(C)(C(=O)Nc1c(Br)cc(Br)cc1Br)N1CCNCC1
InChIInChI=1S/C14H18Br3N3O/c1-14(2,20-5-3-18-4-6-20)13(21)19-12-10(16)7-9(15)8-11(12)17/h7-8,18H,3-6H2,1-2H3,(H,19,21)
InChIKeyCBKRNRYMAMPHAG-UHFFFAOYSA-N
XLogP3.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.03
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547613
2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide
CID 80550540
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 81352101
2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide
CID 103814539
2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide
CID 54928689
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548312
N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547728
N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 106954484
2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide
CID 80548785
2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide
CID 80548019
N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 107621761
2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide
CID 103287498

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide?
The IUPAC name of 2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide (CID 80547446) is 2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide is CC(C)(C(=O)Nc1c(Br)cc(Br)cc1Br)N1CCNCC1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide?
The InChIKey is CBKRNRYMAMPHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br3N3O/c1-14(2,20-5-3-18-4-6-20)13(21)19-12-10(16)7-9(15)8-11(12)17/h7-8,18H,3-6H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide?
2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide has a molecular weight of 484.03 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide is sourced from PubChem (CID 80547446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).