(3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one

C17H21N3O — CID 99826047

IUPAC(3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one
SMILESCc1ccc2cc(CN3CCN(C)C(=O)[C@H]3C)ccc2n1
InChIInChI=1S/C17H21N3O/c1-12-4-6-15-10-14(5-7-16(15)18-12)11-20-9-8-19(3)17(21)13(20)2/h4-7,10,13H,8-9,11H2,1-3H3/t13-/m1/s1
InChIKeyXFEAESGODKVVPD-CYBMUJFWSA-N
MW283.38 g/mol
LogP2.21
Rot. Bonds2

About (3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one

(3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one (PubChem CID 99826047) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one
PubChem CID99826047
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one
SMILESCc1ccc2cc(CN3CCN(C)C(=O)[C@H]3C)ccc2n1
InChIInChI=1S/C17H21N3O/c1-12-4-6-15-10-14(5-7-16(15)18-12)11-20-9-8-19(3)17(21)13(20)2/h4-7,10,13H,8-9,11H2,1-3H3/t13-/m1/s1
InChIKeyXFEAESGODKVVPD-CYBMUJFWSA-N
XLogP2.21
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine
CID 105379017
2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline
CID 170707754
[1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120841918
4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909674
2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline
CID 105379000
4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one
CID 50983752
2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline
CID 166296007
2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline
CID 167445695
(3S)-1,3-dimethyl-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-2-one
CID 164635519
5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
CID 122125208
[(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol
CID 128979762
2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid
CID 105379685

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one?
The IUPAC name of (3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one (CID 99826047) is (3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one is Cc1ccc2cc(CN3CCN(C)C(=O)[C@H]3C)ccc2n1.
What is the InChIKey of (3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one?
The InChIKey is XFEAESGODKVVPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-4-6-15-10-14(5-7-16(15)18-12)11-20-9-8-19(3)17(21)13(20)2/h4-7,10,13H,8-9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one?
(3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one has a molecular weight of 283.38 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one is sourced from PubChem (CID 99826047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).