1-[6-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea

C30H60N6O2 — CID 54390381

IUPAC1-[6-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea
SMILESCC1(C)CC(CCN(CCCCCCN(CCC2CC(C)(C)NC(C)(C)C2)C(N)=O)C(N)=O)CC(C)(C)N1
InChIInChI=1S/C30H60N6O2/c1-27(2)19-23(20-28(3,4)33-27)13-17-35(25(31)37)15-11-9-10-12-16-36(26(32)38)18-14-24-21-29(5,6)34-30(7,8)22-24/h23-24,33-34H,9-22H2,1-8H3,(H2,31,37)(H2,32,38)
InChIKeyVGFDVFAZBVVDMW-UHFFFAOYSA-N
MW536.85 g/mol
LogP5.20
Rot. Bonds13

About 1-[6-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea

1-[6-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea (PubChem CID 54390381) has the molecular formula C30H60N6O2 and a molecular weight of 536.85 g/mol. Its IUPAC name is 1-[6-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[6-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea
PubChem CID54390381
Molecular FormulaC30H60N6O2
Molecular Weight536.85 g/mol
Exact Mass536.48
IUPAC Name1-[6-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea
SMILESCC1(C)CC(CCN(CCCCCCN(CCC2CC(C)(C)NC(C)(C)C2)C(N)=O)C(N)=O)CC(C)(C)N1
InChIInChI=1S/C30H60N6O2/c1-27(2)19-23(20-28(3,4)33-27)13-17-35(25(31)37)15-11-9-10-12-16-36(26(32)38)18-14-24-21-29(5,6)34-30(7,8)22-24/h23-24,33-34H,9-22H2,1-8H3,(H2,31,37)(H2,32,38)
InChIKeyVGFDVFAZBVVDMW-UHFFFAOYSA-N
XLogP5.20
TPSA116.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.85
LogP ≤ 55.20
H-Bond Donors ≤ 54
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-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea?
The IUPAC name of 1-[6-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea (CID 54390381) is 1-[6-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea.
What is the SMILES notation for 1-[6-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea?
The canonical SMILES for 1-[6-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea is CC1(C)CC(CCN(CCCCCCN(CCC2CC(C)(C)NC(C)(C)C2)C(N)=O)C(N)=O)CC(C)(C)N1.
What is the InChIKey of 1-[6-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea?
The InChIKey is VGFDVFAZBVVDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N6O2/c1-27(2)19-23(20-28(3,4)33-27)13-17-35(25(31)37)15-11-9-10-12-16-36(26(32)38)18-14-24-21-29(5,6)34-30(7,8)22-24/h23-24,33-34H,9-22H2,1-8H3,(H2,31,37)(H2,32,38).
What are the key properties of 1-[6-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea?
1-[6-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea has a molecular weight of 536.85 g/mol, XLogP of 5.20, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[carbamoyl-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]amino]hexyl]-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]urea is sourced from PubChem (CID 54390381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).