(2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone

C19H23N3O — CID 120569390

IUPAC(2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N1CCNC(C)C1C
InChIInChI=1S/C19H23N3O/c1-13-15(3)22(12-11-20-13)19(23)17-9-10-18(21-14(17)2)16-7-5-4-6-8-16/h4-10,13,15,20H,11-12H2,1-3H3
InChIKeyCNRSFTFCYJYACE-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.88
Rot. Bonds2

About (2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone

(2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone (PubChem CID 120569390) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
PubChem CID120569390
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N1CCNC(C)C1C
InChIInChI=1S/C19H23N3O/c1-13-15(3)22(12-11-20-13)19(23)17-9-10-18(21-14(17)2)16-7-5-4-6-8-16/h4-10,13,15,20H,11-12H2,1-3H3
InChIKeyCNRSFTFCYJYACE-UHFFFAOYSA-N
XLogP2.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 120572825
(2,3-dimethylpiperazin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 120571860
(4-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883923
(2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120569385
(2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 120569446
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110887019
(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572277
(2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 120569646
(2,3-dimethylpiperazin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 120569604
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119518663
(3-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883825

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone (CID 120569390) is (2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone is Cc1nc(-c2ccccc2)ccc1C(=O)N1CCNC(C)C1C.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone?
The InChIKey is CNRSFTFCYJYACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13-15(3)22(12-11-20-13)19(23)17-9-10-18(21-14(17)2)16-7-5-4-6-8-16/h4-10,13,15,20H,11-12H2,1-3H3.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone?
(2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone has a molecular weight of 309.41 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone is sourced from PubChem (CID 120569390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).