[4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate

C29H56N4O4 — CID 20792527

IUPAC[4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate
SMILESCCC(=O)ON1C(C)(C)CC(NCCCCCCNC2CC(C)(C)N(OC(C)=O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C29H56N4O4/c1-11-25(35)37-33-28(7,8)20-24(21-29(33,9)10)31-17-15-13-12-14-16-30-23-18-26(3,4)32(36-22(2)34)27(5,6)19-23/h23-24,30-31H,11-21H2,1-10H3
InChIKeyQUJVEXJYPFYEFE-UHFFFAOYSA-N
MW524.79 g/mol
LogP5.12
Rot. Bonds12

About [4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate

[4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate (PubChem CID 20792527) has the molecular formula C29H56N4O4 and a molecular weight of 524.79 g/mol. Its IUPAC name is [4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate.

Molecular Properties

Compound Name[4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate
PubChem CID20792527
Molecular FormulaC29H56N4O4
Molecular Weight524.79 g/mol
Exact Mass524.43
IUPAC Name[4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate
SMILESCCC(=O)ON1C(C)(C)CC(NCCCCCCNC2CC(C)(C)N(OC(C)=O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C29H56N4O4/c1-11-25(35)37-33-28(7,8)20-24(21-29(33,9)10)31-17-15-13-12-14-16-30-23-18-26(3,4)32(36-22(2)34)27(5,6)19-23/h23-24,30-31H,11-21H2,1-10H3
InChIKeyQUJVEXJYPFYEFE-UHFFFAOYSA-N
XLogP5.12
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.79
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate?
The IUPAC name of [4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate (CID 20792527) is [4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate.
What is the SMILES notation for [4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate?
The canonical SMILES for [4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate is CCC(=O)ON1C(C)(C)CC(NCCCCCCNC2CC(C)(C)N(OC(C)=O)C(C)(C)C2)CC1(C)C.
What is the InChIKey of [4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate?
The InChIKey is QUJVEXJYPFYEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56N4O4/c1-11-25(35)37-33-28(7,8)20-24(21-29(33,9)10)31-17-15-13-12-14-16-30-23-18-26(3,4)32(36-22(2)34)27(5,6)19-23/h23-24,30-31H,11-21H2,1-10H3.
What are the key properties of [4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate?
[4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate has a molecular weight of 524.79 g/mol, XLogP of 5.12, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate is sourced from PubChem (CID 20792527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).