(4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone

C13H19N3O — CID 114269672

IUPAC(4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCc1cc(C)nc(C(=O)N2CCN[C@H](C)C2)c1
InChIInChI=1S/C13H19N3O/c1-9-6-10(2)15-12(7-9)13(17)16-5-4-14-11(3)8-16/h6-7,11,14H,4-5,8H2,1-3H3/t11-/m1/s1
InChIKeyZJBCWBSOXZWKJT-LLVKDONJSA-N
MW233.31 g/mol
LogP1.13
Rot. Bonds1

About (4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone

(4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 114269672) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID114269672
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCc1cc(C)nc(C(=O)N2CCN[C@H](C)C2)c1
InChIInChI=1S/C13H19N3O/c1-9-6-10(2)15-12(7-9)13(17)16-5-4-14-11(3)8-16/h6-7,11,14H,4-5,8H2,1-3H3/t11-/m1/s1
InChIKeyZJBCWBSOXZWKJT-LLVKDONJSA-N
XLogP1.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578061
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428158
(1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 119578302
(1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124694981
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427136
(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426420
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 119580078
(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124692449
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
(2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426616
(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 66121470
4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 119580359

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone (CID 114269672) is (4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone is Cc1cc(C)nc(C(=O)N2CCN[C@H](C)C2)c1.
What is the InChIKey of (4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is ZJBCWBSOXZWKJT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-6-10(2)15-12(7-9)13(17)16-5-4-14-11(3)8-16/h6-7,11,14H,4-5,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
(4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 233.31 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 114269672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).