1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C34H68N6O2 — CID 70522704

IUPAC1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCCN(CC)C(=O)N(CCCCCCN(C(=O)N(CC)CC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C34H68N6O2/c1-13-37(14-2)29(41)39(27-23-31(5,6)35-32(7,8)24-27)21-19-17-18-20-22-40(30(42)38(15-3)16-4)28-25-33(9,10)36-34(11,12)26-28/h27-28,35-36H,13-26H2,1-12H3
InChIKeyTWVARHPXRXJAHQ-UHFFFAOYSA-N
MW592.96 g/mol
LogP6.69
Rot. Bonds13

About 1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 70522704) has the molecular formula C34H68N6O2 and a molecular weight of 592.96 g/mol. Its IUPAC name is 1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID70522704
Molecular FormulaC34H68N6O2
Molecular Weight592.96 g/mol
Exact Mass592.54
IUPAC Name1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCCN(CC)C(=O)N(CCCCCCN(C(=O)N(CC)CC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C34H68N6O2/c1-13-37(14-2)29(41)39(27-23-31(5,6)35-32(7,8)24-27)21-19-17-18-20-22-40(30(42)38(15-3)16-4)28-25-33(9,10)36-34(11,12)26-28/h27-28,35-36H,13-26H2,1-12H3
InChIKeyTWVARHPXRXJAHQ-UHFFFAOYSA-N
XLogP6.69
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.96
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 70522704) is 1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CCN(CC)C(=O)N(CCCCCCN(C(=O)N(CC)CC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is TWVARHPXRXJAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68N6O2/c1-13-37(14-2)29(41)39(27-23-31(5,6)35-32(7,8)24-27)21-19-17-18-20-22-40(30(42)38(15-3)16-4)28-25-33(9,10)36-34(11,12)26-28/h27-28,35-36H,13-26H2,1-12H3.
What are the key properties of 1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 592.96 g/mol, XLogP of 6.69, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[diethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-diethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 70522704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).