N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride

C12H16BrClFN3O — CID 171854826

IUPACN-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
SMILESCC1CN(C(=O)Nc2ccc(Br)c(F)c2)CCN1.Cl
InChIInChI=1S/C12H15BrFN3O.ClH/c1-8-7-17(5-4-15-8)12(18)16-9-2-3-10(13)11(14)6-9;/h2-3,6,8,15H,4-5,7H2,1H3,(H,16,18);1H
InChIKeyYDDCWXWAXNKSAN-UHFFFAOYSA-N
MW352.64 g/mol
LogP2.84
Rot. Bonds1

About N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride

N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride (PubChem CID 171854826) has the molecular formula C12H16BrClFN3O and a molecular weight of 352.64 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
PubChem CID171854826
Molecular FormulaC12H16BrClFN3O
Molecular Weight352.64 g/mol
Exact Mass351.01
IUPAC NameN-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
SMILESCC1CN(C(=O)Nc2ccc(Br)c(F)c2)CCN1.Cl
InChIInChI=1S/C12H15BrFN3O.ClH/c1-8-7-17(5-4-15-8)12(18)16-9-2-3-10(13)11(14)6-9;/h2-3,6,8,15H,4-5,7H2,1H3,(H,16,18);1H
InChIKeyYDDCWXWAXNKSAN-UHFFFAOYSA-N
XLogP2.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.64
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide
CID 171854822
(3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride
CID 166001504
N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111475420
N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide
CID 171854817
N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 171854816
N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide
CID 82094622
4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid
CID 65437199
(3S)-3-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 104976383
N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide
CID 171854841
N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 166231417
(4-bromo-2-chloro-5-fluorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 176730225
(2-bromo-6-fluorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 113265714

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride (CID 171854826) is N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride is CC1CN(C(=O)Nc2ccc(Br)c(F)c2)CCN1.Cl.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is YDDCWXWAXNKSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3O.ClH/c1-8-7-17(5-4-15-8)12(18)16-9-2-3-10(13)11(14)6-9;/h2-3,6,8,15H,4-5,7H2,1H3,(H,16,18);1H.
What are the key properties of N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride?
N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 352.64 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 171854826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).