N-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide

C38H74N4O4 — CID 57277487

IUPACN-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide
SMILESCCC1(C)CC(N(CCCCCCN(C(C)=O)C2CC(C)(CC)N(C(C)O)C(C)(CC)C2C)C(C)=O)C(C)C(C)(CC)N1C(C)O
InChIInChI=1S/C38H74N4O4/c1-15-35(11)25-33(27(5)37(13,17-3)41(35)31(9)45)39(29(7)43)23-21-19-20-22-24-40(30(8)44)34-26-36(12,16-2)42(32(10)46)38(14,18-4)28(34)6/h27-28,31-34,45-46H,15-26H2,1-14H3
InChIKeyCBZJMSLGPCEGTL-UHFFFAOYSA-N
MW651.03 g/mol
LogP7.02
Rot. Bonds15

About N-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide

N-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide (PubChem CID 57277487) has the molecular formula C38H74N4O4 and a molecular weight of 651.03 g/mol. Its IUPAC name is N-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide
PubChem CID57277487
Molecular FormulaC38H74N4O4
Molecular Weight651.03 g/mol
Exact Mass650.57
IUPAC NameN-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide
SMILESCCC1(C)CC(N(CCCCCCN(C(C)=O)C2CC(C)(CC)N(C(C)O)C(C)(CC)C2C)C(C)=O)C(C)C(C)(CC)N1C(C)O
InChIInChI=1S/C38H74N4O4/c1-15-35(11)25-33(27(5)37(13,17-3)41(35)31(9)45)39(29(7)43)23-21-19-20-22-24-40(30(8)44)34-26-36(12,16-2)42(32(10)46)38(14,18-4)28(34)6/h27-28,31-34,45-46H,15-26H2,1-14H3
InChIKeyCBZJMSLGPCEGTL-UHFFFAOYSA-N
XLogP7.02
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.03
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide?
The IUPAC name of N-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide (CID 57277487) is N-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide is CCC1(C)CC(N(CCCCCCN(C(C)=O)C2CC(C)(CC)N(C(C)O)C(C)(CC)C2C)C(C)=O)C(C)C(C)(CC)N1C(C)O.
What is the InChIKey of N-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide?
The InChIKey is CBZJMSLGPCEGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H74N4O4/c1-15-35(11)25-33(27(5)37(13,17-3)41(35)31(9)45)39(29(7)43)23-21-19-20-22-24-40(30(8)44)34-26-36(12,16-2)42(32(10)46)38(14,18-4)28(34)6/h27-28,31-34,45-46H,15-26H2,1-14H3.
What are the key properties of N-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide?
N-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide has a molecular weight of 651.03 g/mol, XLogP of 7.02, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[acetyl-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]amino]hexyl]-N-[2,6-diethyl-1-(1-hydroxyethyl)-2,3,6-trimethylpiperidin-4-yl]acetamide is sourced from PubChem (CID 57277487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).