5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carboxamide;(2R,3R)-2,3-dimethylpiperidine;2-[(2R,3R)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone

C117H168ClN25O3 — CID 161226061

About 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carboxamide;(2R,3R)-2,3-dimethylpiperidine;2-[(2R,3R)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone

5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carboxamide;(2R,3R)-2,3-dimethylpiperidine;2-[(2R,3R)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone (PubChem CID 161226061) has the molecular formula C117H168ClN25O3 and a molecular weight of 2008.26 g/mol. Its IUPAC name is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carboxamide;(2R,3R)-2,3-dimethylpiperidine;2-[(2R,3R)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone.

Molecular Properties

• Compound Name: 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carboxamide;(2R,3R)-2,3-dimethylpiperidine;2-[(2R,3R)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone
• PubChem CID: 161226061
• Molecular Formula: C117H168ClN25O3
• Molecular Weight: 2008.26 g/mol
• Exact Mass: 2006.35
• IUPAC Name: 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carboxamide;(2R,3R)-2,3-dimethylpiperidine;2-[(2R,3R)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone
• SMILES: C[C@@H]1CCCN(CC(=O)c2ccccc2)[C@@H]1C.C[C@@H]1CCCN(c2cnc(C#N)c(Cl)n2)[C@@H]1C.C[C@@H]1CCCN(c2cnc(C#N)c(Nc3ccc(C4CCN(C5CCCC5)CC4)cc3)n2)[C@@H]1C.C[C@@H]1CCCN(c2cnc(C(N)=O)c(Nc3ccc(C4CCN(C5CCCC5)CC4)cc3)n2)[C@@H]1C.C[C@@H]1CCCN[C@@H]1C.C[C@@H]1[C@H](N)CCCN1c1cnc(C(N)=O)c(Nc2ccc(C3CCN(C4CCCC4)CC3)cc2)n1
• InChI: InChI=1S/C28H40N6O.C28H38N6.C27H39N7O.C15H21NO.C12H15ClN4.C7H15N/c1-19-6-5-15-34(20(19)2)25-18-30-26(27(29)35)28(32-25)31-23-11-9-21(10-12-23)22-13-16-33(17-14-22)24-7-3-4-8-24;1-20-6-5-15-34(21(20)2)27-19-30-26(18-29)28(32-27)31-24-11-9-22(10-12-24)23-13-16-33(17-14-23)25-7-3-4-8-25;1-18-23(28)7-4-14-34(18)24-17-30-25(26(29)35)27(32-24)31-21-10-8-19(9-11-21)20-12-15-33(16-13-20)22-5-2-3-6-22;1-12-7-6-10-16(13(12)2)11-15(17)14-8-4-3-5-9-14;1-8-4-3-5-17(9(8)2)11-7-15-10(6-14)12(13)16-11;1-6-4-3-5-8-7(6)2/h9-12,18-20,22,24H,3-8,13-17H2,1-2H3,(H2,29,35)(H,31,32);9-12,19-21,23,25H,3-8,13-17H2,1-2H3,(H,31,32);8-11,17-18,20,22-23H,2-7,12-16,28H2,1H3,(H2,29,35)(H,31,32);3-5,8-9,12-13H,6-7,10-11H2,1-2H3;7-9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3/t19-,20-;20-,21-;18-,23-;12-,13-;8-,9-;6-,7-/m111111/s1
• InChIKey: UYDHJIRBMDQCGK-SEMPKXMBSA-N
• XLogP: 21.67
• TPSA: 354.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2008.26
LogP ≤ 5	21.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carboxamide;(2R,3R)-2,3-dimethylpiperidine;2-[(2R,3R)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone?

The IUPAC name of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carboxamide;(2R,3R)-2,3-dimethylpiperidine;2-[(2R,3R)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone (CID 161226061) is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carboxamide;(2R,3R)-2,3-dimethylpiperidine;2-[(2R,3R)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone.

What is the SMILES notation for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carboxamide;(2R,3R)-2,3-dimethylpiperidine;2-[(2R,3R)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone?

The canonical SMILES for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carboxamide;(2R,3R)-2,3-dimethylpiperidine;2-[(2R,3R)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone is C[C@@H]1CCCN(CC(=O)c2ccccc2)[C@@H]1C.C[C@@H]1CCCN(c2cnc(C#N)c(Cl)n2)[C@@H]1C.C[C@@H]1CCCN(c2cnc(C#N)c(Nc3ccc(C4CCN(C5CCCC5)CC4)cc3)n2)[C@@H]1C.C[C@@H]1CCCN(c2cnc(C(N)=O)c(Nc3ccc(C4CCN(C5CCCC5)CC4)cc3)n2)[C@@H]1C.C[C@@H]1CCCN[C@@H]1C.C[C@@H]1[C@H](N)CCCN1c1cnc(C(N)=O)c(Nc2ccc(C3CCN(C4CCCC4)CC3)cc2)n1.

What is the InChIKey of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carboxamide;(2R,3R)-2,3-dimethylpiperidine;2-[(2R,3R)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone?

The InChIKey is UYDHJIRBMDQCGK-SEMPKXMBSA-N. The full InChI is InChI=1S/C28H40N6O.C28H38N6.C27H39N7O.C15H21NO.C12H15ClN4.C7H15N/c1-19-6-5-15-34(20(19)2)25-18-30-26(27(29)35)28(32-25)31-23-11-9-21(10-12-23)22-13-16-33(17-14-22)24-7-3-4-8-24;1-20-6-5-15-34(21(20)2)27-19-30-26(18-29)28(32-27)31-24-11-9-22(10-12-24)23-13-16-33(17-14-23)25-7-3-4-8-25;1-18-23(28)7-4-14-34(18)24-17-30-25(26(29)35)27(32-24)31-21-10-8-19(9-11-21)20-12-15-33(16-13-20)22-5-2-3-6-22;1-12-7-6-10-16(13(12)2)11-15(17)14-8-4-3-5-9-14;1-8-4-3-5-17(9(8)2)11-7-15-10(6-14)12(13)16-11;1-6-4-3-5-8-7(6)2/h9-12,18-20,22,24H,3-8,13-17H2,1-2H3,(H2,29,35)(H,31,32);9-12,19-21,23,25H,3-8,13-17H2,1-2H3,(H,31,32);8-11,17-18,20,22-23H,2-7,12-16,28H2,1H3,(H2,29,35)(H,31,32);3-5,8-9,12-13H,6-7,10-11H2,1-2H3;7-9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3/t19-,20-;20-,21-;18-,23-;12-,13-;8-,9-;6-,7-/m111111/s1.

What are the key properties of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carboxamide;(2R,3R)-2,3-dimethylpiperidine;2-[(2R,3R)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone?

5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carboxamide;(2R,3R)-2,3-dimethylpiperidine;2-[(2R,3R)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone has a molecular weight of 2008.26 g/mol, XLogP of 21.67, 21 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carboxamide;(2R,3R)-2,3-dimethylpiperidine;2-[(2R,3R)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone is sourced from PubChem (CID 161226061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).