3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one

C29H42N8O2 — CID 145201013

About 3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one

3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one (PubChem CID 145201013) has the molecular formula C29H42N8O2 and a molecular weight of 534.71 g/mol. Its IUPAC name is 3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one.

Molecular Properties

• Compound Name: 3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one
• PubChem CID: 145201013
• Molecular Formula: C29H42N8O2
• Molecular Weight: 534.71 g/mol
• Exact Mass: 534.34
• IUPAC Name: 3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one
• SMILES: CC1(c2ccc(Nc3nc(N4CCCCC4)cnc3C(N)=O)cc2)CCN(C2CC2)CC1.CN1CCNC1=O
• InChI: InChI=1S/C25H34N6O.C4H8N2O/c1-25(11-15-30(16-12-25)20-9-10-20)18-5-7-19(8-6-18)28-24-22(23(26)32)27-17-21(29-24)31-13-3-2-4-14-31;1-6-3-2-5-4(6)7/h5-8,17,20H,2-4,9-16H2,1H3,(H2,26,32)(H,28,29);2-3H2,1H3,(H,5,7)
• InChIKey: CPCKVBONBIDYSI-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 119.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.71
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one?

The IUPAC name of 3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one (CID 145201013) is 3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one.

What is the SMILES notation for 3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one?

The canonical SMILES for 3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one is CC1(c2ccc(Nc3nc(N4CCCCC4)cnc3C(N)=O)cc2)CCN(C2CC2)CC1.CN1CCNC1=O.

What is the InChIKey of 3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one?

The InChIKey is CPCKVBONBIDYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O.C4H8N2O/c1-25(11-15-30(16-12-25)20-9-10-20)18-5-7-19(8-6-18)28-24-22(23(26)32)27-17-21(29-24)31-13-3-2-4-14-31;1-6-3-2-5-4(6)7/h5-8,17,20H,2-4,9-16H2,1H3,(H2,26,32)(H,28,29);2-3H2,1H3,(H,5,7).

What are the key properties of 3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one?

3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one has a molecular weight of 534.71 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one is sourced from PubChem (CID 145201013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).