(3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one

C19H21BrN2O — CID 93322462

IUPAC(3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CCN(c3cccc(Br)c3)C(=O)[C@H]2C)c1
InChIInChI=1S/C19H21BrN2O/c1-14-5-3-6-16(11-14)13-21-9-10-22(19(23)15(21)2)18-8-4-7-17(20)12-18/h3-8,11-12,15H,9-10,13H2,1-2H3/t15-/m1/s1
InChIKeyCNYYEOGNNBPLRC-OAHLLOKOSA-N
MW373.29 g/mol
LogP3.99
Rot. Bonds3

About (3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one

(3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one (PubChem CID 93322462) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is (3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one
PubChem CID93322462
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name(3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CCN(c3cccc(Br)c3)C(=O)[C@H]2C)c1
InChIInChI=1S/C19H21BrN2O/c1-14-5-3-6-16(11-14)13-21-9-10-22(19(23)15(21)2)18-8-4-7-17(20)12-18/h3-8,11-12,15H,9-10,13H2,1-2H3/t15-/m1/s1
InChIKeyCNYYEOGNNBPLRC-OAHLLOKOSA-N
XLogP3.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one
CID 93321035
(3R)-1-(3-bromophenyl)-4-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one
CID 93321240
1-(3-bromophenyl)-3-methyl-4-[2-(methylamino)ethyl]piperazin-2-one
CID 84606820
4-benzyl-1-(4-bromophenyl)-3-methylpiperazin-2-one
CID 46035819
1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24715881
4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24715820
4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035767
(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321115
1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one
CID 24715924
(3R)-4-benzyl-1-(4-tert-butylphenyl)-3-methylpiperazin-2-one
CID 93321080
(3S)-4-(benzenesulfonyl)-1-(3-bromophenyl)-3-methylpiperazin-2-one
CID 93322852
(3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321027

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one (CID 93322462) is (3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one is Cc1cccc(CN2CCN(c3cccc(Br)c3)C(=O)[C@H]2C)c1.
What is the InChIKey of (3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one?
The InChIKey is CNYYEOGNNBPLRC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21BrN2O/c1-14-5-3-6-16(11-14)13-21-9-10-22(19(23)15(21)2)18-8-4-7-17(20)12-18/h3-8,11-12,15H,9-10,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one?
(3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one has a molecular weight of 373.29 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 93322462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).