(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone

C16H17BrN2O — CID 115353693

IUPAC(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc3cc(Br)ccc3c2)CCN1
InChIInChI=1S/C16H17BrN2O/c1-11-10-19(7-6-18-11)16(20)14-3-2-13-9-15(17)5-4-12(13)8-14/h2-5,8-9,11,18H,6-7,10H2,1H3/t11-/m1/s1
InChIKeyLLELXJACIQVEQB-LLVKDONJSA-N
MW333.23 g/mol
LogP3.04
Rot. Bonds1

About (6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone

(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 115353693) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID115353693
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc3cc(Br)ccc3c2)CCN1
InChIInChI=1S/C16H17BrN2O/c1-11-10-19(7-6-18-11)16(20)14-3-2-13-9-15(17)5-4-12(13)8-14/h2-5,8-9,11,18H,6-7,10H2,1H3/t11-/m1/s1
InChIKeyLLELXJACIQVEQB-LLVKDONJSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-4-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 102612021
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900236
(4-bromo-2-hydroxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427467
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
(3-bromo-5-fluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576853
(4-bromo-3-methylsulfonylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124591085
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
(3-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 82875734
(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578061

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone (CID 115353693) is (6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone is C[C@@H]1CN(C(=O)c2ccc3cc(Br)ccc3c2)CCN1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is LLELXJACIQVEQB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-10-19(7-6-18-11)16(20)14-3-2-13-9-15(17)5-4-12(13)8-14/h2-5,8-9,11,18H,6-7,10H2,1H3/t11-/m1/s1.
What are the key properties of (6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 333.23 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 115353693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).