N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone)

C58H117N13O5 — CID 157102435

About N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone)

N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone) (PubChem CID 157102435) has the molecular formula C58H117N13O5 and a molecular weight of 1076.66 g/mol. Its IUPAC name is N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone).

Molecular Properties

• Compound Name: N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone)
• PubChem CID: 157102435
• Molecular Formula: C58H117N13O5
• Molecular Weight: 1076.66 g/mol
• Exact Mass: 1075.93
• IUPAC Name: N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone)
• SMILES: CC(=O)C1CCN(C(C)C)CC1.CC(=O)C1CCN(C(C)C)CC1.CC(=O)CN1CCN(C(C)C)CC1.CC(=O)N1CCN(C(C)C)CC1.CC(C)NC(=O)N1CCN(C(C)C)CC1.[H]/N=C(\N)N1CCN(C(C)C)CC1
• InChI: InChI=1S/C11H23N3O.C10H20N2O.2C10H19NO.C9H18N2O.C8H18N4/c1-9(2)12-11(15)14-7-5-13(6-8-14)10(3)4;1-9(2)12-6-4-11(5-7-12)8-10(3)13;2*1-8(2)11-6-4-10(5-7-11)9(3)12;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)11-3-5-12(6-4-11)8(9)10/h9-10H,5-8H2,1-4H3,(H,12,15);9H,4-8H2,1-3H3;2*8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3,(H3,9,10)
• InChIKey: AFXMCSWZXLOLPL-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 179.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1076.66
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone)?

The IUPAC name of N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone) (CID 157102435) is N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone).

What is the SMILES notation for N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone)?

The canonical SMILES for N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone) is CC(=O)C1CCN(C(C)C)CC1.CC(=O)C1CCN(C(C)C)CC1.CC(=O)CN1CCN(C(C)C)CC1.CC(=O)N1CCN(C(C)C)CC1.CC(C)NC(=O)N1CCN(C(C)C)CC1.[H]/N=C(\N)N1CCN(C(C)C)CC1.

What is the InChIKey of N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone)?

The InChIKey is AFXMCSWZXLOLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.C10H20N2O.2C10H19NO.C9H18N2O.C8H18N4/c1-9(2)12-11(15)14-7-5-13(6-8-14)10(3)4;1-9(2)12-6-4-11(5-7-12)8-10(3)13;2*1-8(2)11-6-4-10(5-7-11)9(3)12;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)11-3-5-12(6-4-11)8(9)10/h9-10H,5-8H2,1-4H3,(H,12,15);9H,4-8H2,1-3H3;2*8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3,(H3,9,10).

What are the key properties of N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone)?

N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone) has a molecular weight of 1076.66 g/mol, XLogP of 5.59, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N,4-di(propan-2-yl)piperazine-1-carboxamide;4-propan-2-ylpiperazine-1-carboximidamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;bis(1-(1-propan-2-ylpiperidin-4-yl)ethanone) is sourced from PubChem (CID 157102435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).