1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;cyclopentanamine;methane;3-methylazetidine;6-methylpyridin-3-amine;2-methyl-1,3-thiazol-5-amine;piperidin-3-amine;pyrimidin-4-amine;1,2,4-thiadiazol-5-amine;1,3-thiazol-5-amine

C47H94N18OS3 — CID 159229444

About 1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;cyclopentanamine;methane;3-methylazetidine;6-methylpyridin-3-amine;2-methyl-1,3-thiazol-5-amine;piperidin-3-amine;pyrimidin-4-amine;1,2,4-thiadiazol-5-amine;1,3-thiazol-5-amine

1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;cyclopentanamine;methane;3-methylazetidine;6-methylpyridin-3-amine;2-methyl-1,3-thiazol-5-amine;piperidin-3-amine;pyrimidin-4-amine;1,2,4-thiadiazol-5-amine;1,3-thiazol-5-amine (PubChem CID 159229444) has the molecular formula C47H94N18OS3 and a molecular weight of 1023.59 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;cyclopentanamine;methane;3-methylazetidine;6-methylpyridin-3-amine;2-methyl-1,3-thiazol-5-amine;piperidin-3-amine;pyrimidin-4-amine;1,2,4-thiadiazol-5-amine;1,3-thiazol-5-amine.

Molecular Properties

• Compound Name: 1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;cyclopentanamine;methane;3-methylazetidine;6-methylpyridin-3-amine;2-methyl-1,3-thiazol-5-amine;piperidin-3-amine;pyrimidin-4-amine;1,2,4-thiadiazol-5-amine;1,3-thiazol-5-amine
• PubChem CID: 159229444
• Molecular Formula: C47H94N18OS3
• Molecular Weight: 1023.59 g/mol
• Exact Mass: 1022.70
• IUPAC Name: 1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;cyclopentanamine;methane;3-methylazetidine;6-methylpyridin-3-amine;2-methyl-1,3-thiazol-5-amine;piperidin-3-amine;pyrimidin-4-amine;1,2,4-thiadiazol-5-amine;1,3-thiazol-5-amine
• SMILES: C.C.C.C.CC(C)(C)C(=O)N1CCCC(N)C1.CC1CNC1.Cc1ccc(N)cn1.Cc1ncc(N)s1.NC1CCCC1.NC1CCCNC1.Nc1ccncn1.Nc1cncs1.Nc1ncns1
• InChI: InChI=1S/C10H20N2O.C6H8N2.C5H12N2.C5H11N.C4H5N3.C4H6N2S.C4H9N.C3H4N2S.C2H3N3S.4CH4/c1-10(2,3)9(13)12-6-4-5-8(11)7-12;1-5-2-3-6(7)4-8-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-5;5-4-1-2-6-3-7-4;1-3-6-2-4(5)7-3;1-4-2-5-3-4;4-3-1-5-2-6-3;3-2-4-1-5-6-2;;;;/h8H,4-7,11H2,1-3H3;2-4H,7H2,1H3;5,7H,1-4,6H2;5H,1-4,6H2;1-3H,(H2,5,6,7);2H,5H2,1H3;4-5H,2-3H2,1H3;1-2H,4H2;1H,(H2,3,4,5);4*1H4
• InChIKey: KSRZCCXWUYNTCR-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 342.76 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1023.59
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;cyclopentanamine;methane;3-methylazetidine;6-methylpyridin-3-amine;2-methyl-1,3-thiazol-5-amine;piperidin-3-amine;pyrimidin-4-amine;1,2,4-thiadiazol-5-amine;1,3-thiazol-5-amine?

The IUPAC name of 1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;cyclopentanamine;methane;3-methylazetidine;6-methylpyridin-3-amine;2-methyl-1,3-thiazol-5-amine;piperidin-3-amine;pyrimidin-4-amine;1,2,4-thiadiazol-5-amine;1,3-thiazol-5-amine (CID 159229444) is 1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;cyclopentanamine;methane;3-methylazetidine;6-methylpyridin-3-amine;2-methyl-1,3-thiazol-5-amine;piperidin-3-amine;pyrimidin-4-amine;1,2,4-thiadiazol-5-amine;1,3-thiazol-5-amine.

What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;cyclopentanamine;methane;3-methylazetidine;6-methylpyridin-3-amine;2-methyl-1,3-thiazol-5-amine;piperidin-3-amine;pyrimidin-4-amine;1,2,4-thiadiazol-5-amine;1,3-thiazol-5-amine?

The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;cyclopentanamine;methane;3-methylazetidine;6-methylpyridin-3-amine;2-methyl-1,3-thiazol-5-amine;piperidin-3-amine;pyrimidin-4-amine;1,2,4-thiadiazol-5-amine;1,3-thiazol-5-amine is C.C.C.C.CC(C)(C)C(=O)N1CCCC(N)C1.CC1CNC1.Cc1ccc(N)cn1.Cc1ncc(N)s1.NC1CCCC1.NC1CCCNC1.Nc1ccncn1.Nc1cncs1.Nc1ncns1.

What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;cyclopentanamine;methane;3-methylazetidine;6-methylpyridin-3-amine;2-methyl-1,3-thiazol-5-amine;piperidin-3-amine;pyrimidin-4-amine;1,2,4-thiadiazol-5-amine;1,3-thiazol-5-amine?

The InChIKey is KSRZCCXWUYNTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C6H8N2.C5H12N2.C5H11N.C4H5N3.C4H6N2S.C4H9N.C3H4N2S.C2H3N3S.4CH4/c1-10(2,3)9(13)12-6-4-5-8(11)7-12;1-5-2-3-6(7)4-8-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-5;5-4-1-2-6-3-7-4;1-3-6-2-4(5)7-3;1-4-2-5-3-4;4-3-1-5-2-6-3;3-2-4-1-5-6-2;;;;/h8H,4-7,11H2,1-3H3;2-4H,7H2,1H3;5,7H,1-4,6H2;5H,1-4,6H2;1-3H,(H2,5,6,7);2H,5H2,1H3;4-5H,2-3H2,1H3;1-2H,4H2;1H,(H2,3,4,5);4*1H4.

What are the key properties of 1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;cyclopentanamine;methane;3-methylazetidine;6-methylpyridin-3-amine;2-methyl-1,3-thiazol-5-amine;piperidin-3-amine;pyrimidin-4-amine;1,2,4-thiadiazol-5-amine;1,3-thiazol-5-amine?

1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;cyclopentanamine;methane;3-methylazetidine;6-methylpyridin-3-amine;2-methyl-1,3-thiazol-5-amine;piperidin-3-amine;pyrimidin-4-amine;1,2,4-thiadiazol-5-amine;1,3-thiazol-5-amine has a molecular weight of 1023.59 g/mol, XLogP of 7.25, 0 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;cyclopentanamine;methane;3-methylazetidine;6-methylpyridin-3-amine;2-methyl-1,3-thiazol-5-amine;piperidin-3-amine;pyrimidin-4-amine;1,2,4-thiadiazol-5-amine;1,3-thiazol-5-amine is sourced from PubChem (CID 159229444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).