N,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide

C32H60N4O4-2 — CID 87648886

IUPACN,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide
SMILESCCCCN(C(=O)CCCCC(=O)N(CCCC)C1CC(C)(C)N([O-])C(C)(C)C1)C1CC(C)(C)N([O-])C(C)(C)C1
InChIInChI=1S/C32H60N4O4/c1-11-13-19-33(25-21-29(3,4)35(39)30(5,6)22-25)27(37)17-15-16-18-28(38)34(20-14-12-2)26-23-31(7,8)36(40)32(9,10)24-26/h25-26H,11-24H2,1-10H3/q-2
InChIKeyFXDYSOGAJXXMES-UHFFFAOYSA-N
MW564.86 g/mol
LogP6.84
Rot. Bonds13

About N,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide

N,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide (PubChem CID 87648886) has the molecular formula C32H60N4O4-2 and a molecular weight of 564.86 g/mol. Its IUPAC name is N,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide.

Molecular Properties

Compound NameN,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide
PubChem CID87648886
Molecular FormulaC32H60N4O4-2
Molecular Weight564.86 g/mol
Exact Mass564.46
IUPAC NameN,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide
SMILESCCCCN(C(=O)CCCCC(=O)N(CCCC)C1CC(C)(C)N([O-])C(C)(C)C1)C1CC(C)(C)N([O-])C(C)(C)C1
InChIInChI=1S/C32H60N4O4/c1-11-13-19-33(25-21-29(3,4)35(39)30(5,6)22-25)27(37)17-15-16-18-28(38)34(20-14-12-2)26-23-31(7,8)36(40)32(9,10)24-26/h25-26H,11-24H2,1-10H3/q-2
InChIKeyFXDYSOGAJXXMES-UHFFFAOYSA-N
XLogP6.84
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.86
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dibutyl-N,N'-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butanediamide
CID 89405471
N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide
CID 18998994
N,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide
CID 54526430
3-amino-N-butyl-N-cyclopropylpropanamide
CID 60944847
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708
N-(3-aminopropyl)-N-cyclobutylhexanamide
CID 102873870
N-cyclobutyl-N-(3-hydroxypropyl)decanamide
CID 102866665
3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
3-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanoic acid
CID 70580678
N-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N-dodecylacetamide
CID 71322405
N-(2-chloroethyl)-N-cyclopropylnonanamide
CID 65426813
N-(3-aminopropyl)-N-cycloheptylheptanamide
CID 114751887

Frequently Asked Questions

What is the IUPAC name of N,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide?
The IUPAC name of N,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide (CID 87648886) is N,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide.
What is the SMILES notation for N,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide?
The canonical SMILES for N,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide is CCCCN(C(=O)CCCCC(=O)N(CCCC)C1CC(C)(C)N([O-])C(C)(C)C1)C1CC(C)(C)N([O-])C(C)(C)C1.
What is the InChIKey of N,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide?
The InChIKey is FXDYSOGAJXXMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N4O4/c1-11-13-19-33(25-21-29(3,4)35(39)30(5,6)22-25)27(37)17-15-16-18-28(38)34(20-14-12-2)26-23-31(7,8)36(40)32(9,10)24-26/h25-26H,11-24H2,1-10H3/q-2.
What are the key properties of N,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide?
N,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide has a molecular weight of 564.86 g/mol, XLogP of 6.84, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide is sourced from PubChem (CID 87648886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).