1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

C133H172N22O9S3 — CID 162136675

About 1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162136675) has the molecular formula C133H172N22O9S3 and a molecular weight of 2319.18 g/mol. Its IUPAC name is 1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 162136675
• Molecular Formula: C133H172N22O9S3
• Molecular Weight: 2319.18 g/mol
• Exact Mass: 2317.28
• IUPAC Name: 1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
• SMILES: CC(=O)N1CCN(c2cc(C)c(C(C)C)cn2)CC1.CC(C)c1ccc(C2CCS(=O)(=O)CC2)nc1.CC(C)c1ccc(N2CCN(C)C(=O)C2)nc1.CC(C)c1cccc2[nH]c(=O)oc12.CC(C)c1cccc2ncsc12.CC(C)c1ccnc2[nH]ccc12.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2c(ccn2S(C)(=O)=O)c1.Cc1cc(-c2ccccn2)ncc1C(C)C.Cc1cc(-c2ccncc2)ncc1C(C)C.Cc1cc(N2CCNC(=O)C2)ncc1C(C)C
• InChI: InChI=1S/C15H23N3O.2C14H16N2.2C13H19N3O.C13H19NO2S.C11H14N2O2S.2C10H12N2.C10H11NO2.C10H11NS/c1-11(2)14-10-16-15(9-12(14)3)18-7-5-17(6-8-18)13(4)19;1-10(2)13-9-16-14(8-11(13)3)12-4-6-15-7-5-12;1-10(2)12-9-16-14(8-11(12)3)13-6-4-5-7-15-13;1-9(2)11-7-15-12(6-10(11)3)16-5-4-14-13(17)8-16;1-10(2)11-4-5-12(14-8-11)16-7-6-15(3)13(17)9-16;1-10(2)12-3-4-13(14-9-12)11-5-7-17(15,16)8-6-11;1-8(2)10-6-9-4-5-13(16(3,14)15)11(9)12-7-10;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-6(2)7-4-3-5-8-9(7)13-10(12)11-8;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h9-11H,5-8H2,1-4H3;2*4-10H,1-3H3;6-7,9H,4-5,8H2,1-3H3,(H,14,17);4-5,8,10H,6-7,9H2,1-3H3;3-4,9-11H,5-8H2,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);3-7H,1-2H3
• InChIKey: ZJJNJJDECCDUOO-UHFFFAOYSA-N
• XLogP: 27.77
• TPSA: 384.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2319.18
LogP ≤ 5	27.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 162136675) is 1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is CC(=O)N1CCN(c2cc(C)c(C(C)C)cn2)CC1.CC(C)c1ccc(C2CCS(=O)(=O)CC2)nc1.CC(C)c1ccc(N2CCN(C)C(=O)C2)nc1.CC(C)c1cccc2[nH]c(=O)oc12.CC(C)c1cccc2ncsc12.CC(C)c1ccnc2[nH]ccc12.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2c(ccn2S(C)(=O)=O)c1.Cc1cc(-c2ccccn2)ncc1C(C)C.Cc1cc(-c2ccncc2)ncc1C(C)C.Cc1cc(N2CCNC(=O)C2)ncc1C(C)C.

What is the InChIKey of 1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is ZJJNJJDECCDUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2C14H16N2.2C13H19N3O.C13H19NO2S.C11H14N2O2S.2C10H12N2.C10H11NO2.C10H11NS/c1-11(2)14-10-16-15(9-12(14)3)18-7-5-17(6-8-18)13(4)19;1-10(2)13-9-16-14(8-11(13)3)12-4-6-15-7-5-12;1-10(2)12-9-16-14(8-11(12)3)13-6-4-5-7-15-13;1-9(2)11-7-15-12(6-10(11)3)16-5-4-14-13(17)8-16;1-10(2)11-4-5-12(14-8-11)16-7-6-15(3)13(17)9-16;1-10(2)12-3-4-13(14-9-12)11-5-7-17(15,16)8-6-11;1-8(2)10-6-9-4-5-13(16(3,14)15)11(9)12-7-10;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-6(2)7-4-3-5-8-9(7)13-10(12)11-8;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h9-11H,5-8H2,1-4H3;2*4-10H,1-3H3;6-7,9H,4-5,8H2,1-3H3,(H,14,17);4-5,8,10H,6-7,9H2,1-3H3;3-4,9-11H,5-8H2,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);3-7H,1-2H3.

What are the key properties of 1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?

1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2319.18 g/mol, XLogP of 27.77, 18 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162136675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).