N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide

C14H20BrN3O — CID 108902313

IUPACN-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrN3O/c1-17-8-10-18(11-9-17)14(19)16-7-6-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyDMFXWDWCSSPYHY-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.95
Rot. Bonds3

About N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide

N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide (PubChem CID 108902313) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide
PubChem CID108902313
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrN3O/c1-17-8-10-18(11-9-17)14(19)16-7-6-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyDMFXWDWCSSPYHY-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 11717373
4-benzhydryl-N-[2-(4-bromophenyl)ethyl]piperazine-1-carboxamide
CID 108902253
4-bromo-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889266
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 108891161
2-[(4-bromophenyl)methylsulfanyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 2972310
N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 82086575
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115
3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108944340
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108902217
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108960698

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide (CID 108902313) is N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)NCCc2ccc(Br)cc2)CC1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is DMFXWDWCSSPYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-17-8-10-18(11-9-17)14(19)16-7-6-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3,(H,16,19).
What are the key properties of N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide?
N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 108902313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).