N-tert-butyl-3-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]propanamide;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;molecular hydrogen

C116H234N12O5 — CID 167568357

About N-tert-butyl-3-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]propanamide;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;molecular hydrogen

N-tert-butyl-3-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]propanamide;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;molecular hydrogen (PubChem CID 167568357) has the molecular formula C116H234N12O5 and a molecular weight of 1877.23 g/mol. Its IUPAC name is N-tert-butyl-3-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]propanamide;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;molecular hydrogen.

Molecular Properties

• Compound Name: N-tert-butyl-3-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]propanamide;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;molecular hydrogen
• PubChem CID: 167568357
• Molecular Formula: C116H234N12O5
• Molecular Weight: 1877.23 g/mol
• Exact Mass: 1875.84
• IUPAC Name: N-tert-butyl-3-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]propanamide;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;molecular hydrogen
• SMILES: CC(C)(C)CCCCN1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCCC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)NC(=O)CCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.[H][H]
• InChI: InChI=1S/C23H45N3O.C22H43N3O.C20H38N2O3.C18H37N.C17H35N.C16H34N2.H2/c1-21(2,3)9-8-12-24-15-17-25(18-16-24)19-20(27)26-13-10-23(7,11-14-26)22(4,5)6;1-20(2,3)22(7)10-13-24(14-11-22)19(26)9-8-12-23-15-17-25(18-16-23)21(4,5)6;1-18(2,3)20(7)10-12-22(13-11-20)17(24)9-15-25-14-8-16(23)21-19(4,5)6;1-16(2,3)10-8-9-13-19-14-11-18(7,12-15-19)17(4,5)6;1-15(2,3)9-8-12-18-13-10-17(7,11-14-18)16(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6;/h8-19H2,1-7H3;8-18H2,1-7H3;8-15H2,1-7H3,(H,21,23);8-15H2,1-7H3;8-14H2,1-7H3;7-14H2,1-6H3;1H
• InChIKey: FOOPHUNPZWTJCC-UHFFFAOYSA-N
• XLogP: 25.51
• TPSA: 125.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 26
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1877.23
LogP ≤ 5	25.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]propanamide;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;molecular hydrogen?

The IUPAC name of N-tert-butyl-3-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]propanamide;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;molecular hydrogen (CID 167568357) is N-tert-butyl-3-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]propanamide;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;molecular hydrogen.

What is the SMILES notation for N-tert-butyl-3-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]propanamide;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;molecular hydrogen?

The canonical SMILES for N-tert-butyl-3-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]propanamide;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;molecular hydrogen is CC(C)(C)CCCCN1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCCC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)NC(=O)CCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.[H][H].

What is the InChIKey of N-tert-butyl-3-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]propanamide;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;molecular hydrogen?

The InChIKey is FOOPHUNPZWTJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3O.C22H43N3O.C20H38N2O3.C18H37N.C17H35N.C16H34N2.H2/c1-21(2,3)9-8-12-24-15-17-25(18-16-24)19-20(27)26-13-10-23(7,11-14-26)22(4,5)6;1-20(2,3)22(7)10-13-24(14-11-22)19(26)9-8-12-23-15-17-25(18-16-23)21(4,5)6;1-18(2,3)20(7)10-12-22(13-11-20)17(24)9-15-25-14-8-16(23)21-19(4,5)6;1-16(2,3)10-8-9-13-19-14-11-18(7,12-15-19)17(4,5)6;1-15(2,3)9-8-12-18-13-10-17(7,11-14-18)16(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6;/h8-19H2,1-7H3;8-18H2,1-7H3;8-15H2,1-7H3,(H,21,23);8-15H2,1-7H3;8-14H2,1-7H3;7-14H2,1-6H3;1H.

What are the key properties of N-tert-butyl-3-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]propanamide;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;molecular hydrogen?

N-tert-butyl-3-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]propanamide;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;molecular hydrogen has a molecular weight of 1877.23 g/mol, XLogP of 25.51, 26 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]propanamide;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;molecular hydrogen is sourced from PubChem (CID 167568357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).