N,2,2-tris(1-methylpiperidin-4-yl)tetradecanamide

C32H62N4O — CID 57024859

IUPACN,2,2-tris(1-methylpiperidin-4-yl)tetradecanamide
SMILESCCCCCCCCCCCCC(C(=O)NC1CCN(C)CC1)(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C32H62N4O/c1-5-6-7-8-9-10-11-12-13-14-21-32(28-15-22-34(2)23-16-28,29-17-24-35(3)25-18-29)31(37)33-30-19-26-36(4)27-20-30/h28-30H,5-27H2,1-4H3,(H,33,37)
InChIKeyZCPHJBFXMCEYJH-UHFFFAOYSA-N
MW518.88 g/mol
LogP6.18
Rot. Bonds15

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

N,2,2-tris(1-methylpiperidin-4-yl)tetradecanamide (PubChem CID 57024859) has the molecular formula C32H62N4O and a molecular weight of 518.88 g/mol. Its IUPAC name is N,2,2-tris(1-methylpiperidin-4-yl)tetradecanamide.

Molecular Properties

Compound NameN,2,2-tris(1-methylpiperidin-4-yl)tetradecanamide
PubChem CID57024859
Molecular FormulaC32H62N4O
Molecular Weight518.88 g/mol
Exact Mass518.49
IUPAC NameN,2,2-tris(1-methylpiperidin-4-yl)tetradecanamide
SMILESCCCCCCCCCCCCC(C(=O)NC1CCN(C)CC1)(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C32H62N4O/c1-5-6-7-8-9-10-11-12-13-14-21-32(28-15-22-34(2)23-16-28,29-17-24-35(3)25-18-29)31(37)33-30-19-26-36(4)27-20-30/h28-30H,5-27H2,1-4H3,(H,33,37)
InChIKeyZCPHJBFXMCEYJH-UHFFFAOYSA-N
XLogP6.18
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.88
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,2-tris(1-methylpiperidin-4-yl)tetradecanamide?
The IUPAC name of N,2,2-tris(1-methylpiperidin-4-yl)tetradecanamide (CID 57024859) is N,2,2-tris(1-methylpiperidin-4-yl)tetradecanamide.
What is the SMILES notation for N,2,2-tris(1-methylpiperidin-4-yl)tetradecanamide?
The canonical SMILES for N,2,2-tris(1-methylpiperidin-4-yl)tetradecanamide is CCCCCCCCCCCCC(C(=O)NC1CCN(C)CC1)(C1CCN(C)CC1)C1CCN(C)CC1.
What is the InChIKey of N,2,2-tris(1-methylpiperidin-4-yl)tetradecanamide?
The InChIKey is ZCPHJBFXMCEYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62N4O/c1-5-6-7-8-9-10-11-12-13-14-21-32(28-15-22-34(2)23-16-28,29-17-24-35(3)25-18-29)31(37)33-30-19-26-36(4)27-20-30/h28-30H,5-27H2,1-4H3,(H,33,37).
What are the key properties of N,2,2-tris(1-methylpiperidin-4-yl)tetradecanamide?
N,2,2-tris(1-methylpiperidin-4-yl)tetradecanamide has a molecular weight of 518.88 g/mol, XLogP of 6.18, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-tris(1-methylpiperidin-4-yl)tetradecanamide is sourced from PubChem (CID 57024859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).