4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide

C42H72N8O4 — CID 19831371

IUPAC4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
SMILESCC(C#N)(CCC(=O)NC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1)/N=N/C(C)(C#N)CCC(=O)NC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C42H72N8O4/c1-37(2)25-31(26-38(3,4)49(37)53-33-17-13-11-14-18-33)45-35(51)21-23-41(9,29-43)47-48-42(10,30-44)24-22-36(52)46-32-27-39(5,6)50(40(7,8)28-32)54-34-19-15-12-16-20-34/h31-34H,11-28H2,1-10H3,(H,45,51)(H,46,52)/b48-47+
InChIKeyFWKJFFUUMUOGPT-QJGAVIKSSA-N
MW753.09 g/mol
LogP8.37
Rot. Bonds14

About 4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide

4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide (PubChem CID 19831371) has the molecular formula C42H72N8O4 and a molecular weight of 753.09 g/mol. Its IUPAC name is 4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
PubChem CID19831371
Molecular FormulaC42H72N8O4
Molecular Weight753.09 g/mol
Exact Mass752.57
IUPAC Name4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
SMILESCC(C#N)(CCC(=O)NC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1)/N=N/C(C)(C#N)CCC(=O)NC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C42H72N8O4/c1-37(2)25-31(26-38(3,4)49(37)53-33-17-13-11-14-18-33)45-35(51)21-23-41(9,29-43)47-48-42(10,30-44)24-22-36(52)46-32-27-39(5,6)50(40(7,8)28-32)54-34-19-15-12-16-20-34/h31-34H,11-28H2,1-10H3,(H,45,51)(H,46,52)/b48-47+
InChIKeyFWKJFFUUMUOGPT-QJGAVIKSSA-N
XLogP8.37
TPSA155.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.09
LogP ≤ 58.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide with MolForge

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Related Compounds

1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,N-dimethylmethanamine
CID 59934514
N-[2,2,6,6-tetramethyl-1-(2-methylidenecyclohexyl)oxypiperidin-4-yl]acetamide
CID 101428219
(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate
CID 19892345
4-cyano-4-[(2-cyano-5-methoxy-5-oxopentan-2-yl)diazenyl]pentanoic acid
CID 90190970
1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 157057576
4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide
CID 139642514
1-O,2-O-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 90132227
3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 91987853
CID 101170549
CID 101170549
N-[3-[3-[3-(cyclooctylamino)-3-oxopropoxy]-3-methylbutoxy]-3-methylbutyl]carbamoyl fluoride
CID 134387390
CID 102300750
CID 102300750
CID 153419566
CID 153419566

Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide?
The IUPAC name of 4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide (CID 19831371) is 4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide?
The canonical SMILES for 4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide is CC(C#N)(CCC(=O)NC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1)/N=N/C(C)(C#N)CCC(=O)NC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.
What is the InChIKey of 4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide?
The InChIKey is FWKJFFUUMUOGPT-QJGAVIKSSA-N. The full InChI is InChI=1S/C42H72N8O4/c1-37(2)25-31(26-38(3,4)49(37)53-33-17-13-11-14-18-33)45-35(51)21-23-41(9,29-43)47-48-42(10,30-44)24-22-36(52)46-32-27-39(5,6)50(40(7,8)28-32)54-34-19-15-12-16-20-34/h31-34H,11-28H2,1-10H3,(H,45,51)(H,46,52)/b48-47+.
What are the key properties of 4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide?
4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide has a molecular weight of 753.09 g/mol, XLogP of 8.37, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 19831371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).