(2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride

C12H16BrCl2N3O — CID 171854913

IUPAC(2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride
SMILESC[C@H]1CNCCN1C(=O)Nc1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C12H15BrClN3O.ClH/c1-8-7-15-4-5-17(8)12(18)16-11-3-2-9(13)6-10(11)14;/h2-3,6,8,15H,4-5,7H2,1H3,(H,16,18);1H/t8-;/m0./s1
InChIKeyVGSLGCSNPKMQAL-QRPNPIFTSA-N
MW369.09 g/mol
LogP3.35
Rot. Bonds1

About (2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride

(2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride (PubChem CID 171854913) has the molecular formula C12H16BrCl2N3O and a molecular weight of 369.09 g/mol. Its IUPAC name is (2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride
PubChem CID171854913
Molecular FormulaC12H16BrCl2N3O
Molecular Weight369.09 g/mol
Exact Mass366.99
IUPAC Name(2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride
SMILESC[C@H]1CNCCN1C(=O)Nc1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C12H15BrClN3O.ClH/c1-8-7-15-4-5-17(8)12(18)16-11-3-2-9(13)6-10(11)14;/h2-3,6,8,15H,4-5,7H2,1H3,(H,16,18);1H/t8-;/m0./s1
InChIKeyVGSLGCSNPKMQAL-QRPNPIFTSA-N
XLogP3.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.09
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 55104624
(2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide
CID 82755862
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885
1-[(4-bromo-2-chlorophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071299
(3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 40635770
N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673321
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
(4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705543
1-[(5-bromo-2-chlorophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744270
(2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide
CID 82755656
(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 82756445
2-(4-bromo-2-methylphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119470905

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride (CID 171854913) is (2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride is C[C@H]1CNCCN1C(=O)Nc1ccc(Br)cc1Cl.Cl.
What is the InChIKey of (2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is VGSLGCSNPKMQAL-QRPNPIFTSA-N. The full InChI is InChI=1S/C12H15BrClN3O.ClH/c1-8-7-15-4-5-17(8)12(18)16-11-3-2-9(13)6-10(11)14;/h2-3,6,8,15H,4-5,7H2,1H3,(H,16,18);1H/t8-;/m0./s1.
What are the key properties of (2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride?
(2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 369.09 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 171854913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).