3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one

C32H62N6O2 — CID 159287698

About 3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one

3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one (PubChem CID 159287698) has the molecular formula C32H62N6O2 and a molecular weight of 562.89 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one
• PubChem CID: 159287698
• Molecular Formula: C32H62N6O2
• Molecular Weight: 562.89 g/mol
• Exact Mass: 562.49
• IUPAC Name: 3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one
• SMILES: CC(C)N1CCCC(N2CCCC2=O)C1.CC(C)N1CCCC(N2CCNC2=O)C1.CC1CCCN(C(C)C)C1
• InChI: InChI=1S/C12H22N2O.C11H21N3O.C9H19N/c1-10(2)13-7-3-5-11(9-13)14-8-4-6-12(14)15;1-9(2)13-6-3-4-10(8-13)14-7-5-12-11(14)15;1-8(2)10-6-4-5-9(3)7-10/h10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,15);8-9H,4-7H2,1-3H3
• InChIKey: KZSIQRNQQXXYMY-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 62.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.89
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one?

The IUPAC name of 3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one (CID 159287698) is 3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one.

What is the SMILES notation for 3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one?

The canonical SMILES for 3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one is CC(C)N1CCCC(N2CCCC2=O)C1.CC(C)N1CCCC(N2CCNC2=O)C1.CC1CCCN(C(C)C)C1.

What is the InChIKey of 3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one?

The InChIKey is KZSIQRNQQXXYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.C11H21N3O.C9H19N/c1-10(2)13-7-3-5-11(9-13)14-8-4-6-12(14)15;1-9(2)13-6-3-4-10(8-13)14-7-5-12-11(14)15;1-8(2)10-6-4-5-9(3)7-10/h10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,15);8-9H,4-7H2,1-3H3.

What are the key properties of 3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one?

3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one has a molecular weight of 562.89 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 159287698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).