N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide

C38H74N4O2 — CID 18998994

IUPACN-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide
SMILESCCCCCCC(=O)N(CCCCCCN(C(=O)CCCCCC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C38H74N4O2/c1-11-13-15-19-23-33(43)41(31-27-35(3,4)39-36(5,6)28-31)25-21-17-18-22-26-42(34(44)24-20-16-14-12-2)32-29-37(7,8)40-38(9,10)30-32/h31-32,39-40H,11-30H2,1-10H3
InChIKeyXCLYKCGHORMZOF-UHFFFAOYSA-N
MW619.04 g/mol
LogP8.76
Rot. Bonds19

About N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide

N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide (PubChem CID 18998994) has the molecular formula C38H74N4O2 and a molecular weight of 619.04 g/mol. Its IUPAC name is N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide.

Molecular Properties

Compound NameN-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide
PubChem CID18998994
Molecular FormulaC38H74N4O2
Molecular Weight619.04 g/mol
Exact Mass618.58
IUPAC NameN-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide
SMILESCCCCCCC(=O)N(CCCCCCN(C(=O)CCCCCC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C38H74N4O2/c1-11-13-15-19-23-33(43)41(31-27-35(3,4)39-36(5,6)28-31)25-21-17-18-22-26-42(34(44)24-20-16-14-12-2)32-29-37(7,8)40-38(9,10)30-32/h31-32,39-40H,11-30H2,1-10H3
InChIKeyXCLYKCGHORMZOF-UHFFFAOYSA-N
XLogP8.76
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.04
LogP ≤ 58.76
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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Related Compounds

N-[5-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54259009
methyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 11113943
N,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide
CID 87648886
N-cyclobutyl-N-(3-hydroxypropyl)decanamide
CID 102866665
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708
N-butyl-3-[4-(methylsulfamoyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 56535416
N-(2-chloroethyl)-N-cyclopropylnonanamide
CID 65426813
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide
CID 65447660
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide
CID 65447661
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide
CID 54996806
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
N-(2-aminoethyl)-N-cyclobutylheptanamide
CID 102874052

Frequently Asked Questions

What is the IUPAC name of N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide?
The IUPAC name of N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide (CID 18998994) is N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide.
What is the SMILES notation for N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide?
The canonical SMILES for N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide is CCCCCCC(=O)N(CCCCCCN(C(=O)CCCCCC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide?
The InChIKey is XCLYKCGHORMZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H74N4O2/c1-11-13-15-19-23-33(43)41(31-27-35(3,4)39-36(5,6)28-31)25-21-17-18-22-26-42(34(44)24-20-16-14-12-2)32-29-37(7,8)40-38(9,10)30-32/h31-32,39-40H,11-30H2,1-10H3.
What are the key properties of N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide?
N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide has a molecular weight of 619.04 g/mol, XLogP of 8.76, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide is sourced from PubChem (CID 18998994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).