1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one

C21H27N3O2 — CID 134258680

IUPAC1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one
SMILESCc1cc(-c2cc(C)c(=O)n(C)c2C)ccc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C21H27N3O2/c1-14-12-17(19-13-15(2)20(25)23(5)16(19)3)6-7-18(14)21(26)24-10-8-22(4)9-11-24/h6-7,12-13H,8-11H2,1-5H3
InChIKeyZPDDGVZYVCWISN-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.37
Rot. Bonds2

About 1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one

1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one (PubChem CID 134258680) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one
PubChem CID134258680
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one
SMILESCc1cc(-c2cc(C)c(=O)n(C)c2C)ccc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C21H27N3O2/c1-14-12-17(19-13-15(2)20(25)23(5)16(19)3)6-7-18(14)21(26)24-10-8-22(4)9-11-24/h6-7,12-13H,8-11H2,1-5H3
InChIKeyZPDDGVZYVCWISN-UHFFFAOYSA-N
XLogP2.37
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one
CID 134258662
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
(1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 53016708
(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802146
(2-iodo-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 103615023
(4-amino-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-amino-2-(trifluoromethyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 161210202
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110815046
1-(2,4-dimethylbenzoyl)piperidin-4-one
CID 24709834
4-acetyl-6-(4-methylpiperazine-1-carbonyl)benzene-1,3-dicarboxylic acid
CID 58794660
(2-chloro-3,4-dihydroxyphenyl)-(4-methylpiperazin-1-yl)methanone
CID 19880175

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one?
The IUPAC name of 1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one (CID 134258680) is 1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one?
The canonical SMILES for 1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one is Cc1cc(-c2cc(C)c(=O)n(C)c2C)ccc1C(=O)N1CCN(C)CC1.
What is the InChIKey of 1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one?
The InChIKey is ZPDDGVZYVCWISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-12-17(19-13-15(2)20(25)23(5)16(19)3)6-7-18(14)21(26)24-10-8-22(4)9-11-24/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of 1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one?
1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one has a molecular weight of 353.47 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-[3-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]pyridin-2-one is sourced from PubChem (CID 134258680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).