N-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide

C28H55N3O — CID 67680697

IUPACN-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide
SMILESCCCCCCCCCCCCC(C(=O)NCC)(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C28H55N3O/c1-5-7-8-9-10-11-12-13-14-15-20-28(27(32)29-6-2,25-16-21-30(3)22-17-25)26-18-23-31(4)24-19-26/h25-26H,5-24H2,1-4H3,(H,29,32)
InChIKeyMIQATYHWWRWCMT-UHFFFAOYSA-N
MW449.77 g/mol
LogP6.10
Rot. Bonds15

About N-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide

N-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide (PubChem CID 67680697) has the molecular formula C28H55N3O and a molecular weight of 449.77 g/mol. Its IUPAC name is N-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide.

Molecular Properties

Compound NameN-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide
PubChem CID67680697
Molecular FormulaC28H55N3O
Molecular Weight449.77 g/mol
Exact Mass449.43
IUPAC NameN-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide
SMILESCCCCCCCCCCCCC(C(=O)NCC)(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C28H55N3O/c1-5-7-8-9-10-11-12-13-14-15-20-28(27(32)29-6-2,25-16-21-30(3)22-17-25)26-18-23-31(4)24-19-26/h25-26H,5-24H2,1-4H3,(H,29,32)
InChIKeyMIQATYHWWRWCMT-UHFFFAOYSA-N
XLogP6.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.77
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide 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-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide?
The IUPAC name of N-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide (CID 67680697) is N-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide.
What is the SMILES notation for N-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide?
The canonical SMILES for N-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide is CCCCCCCCCCCCC(C(=O)NCC)(C1CCN(C)CC1)C1CCN(C)CC1.
What is the InChIKey of N-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide?
The InChIKey is MIQATYHWWRWCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55N3O/c1-5-7-8-9-10-11-12-13-14-15-20-28(27(32)29-6-2,25-16-21-30(3)22-17-25)26-18-23-31(4)24-19-26/h25-26H,5-24H2,1-4H3,(H,29,32).
What are the key properties of N-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide?
N-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide has a molecular weight of 449.77 g/mol, XLogP of 6.10, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-bis(1-methylpiperidin-4-yl)tetradecanamide is sourced from PubChem (CID 67680697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).