2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide

C23H46N2O — CID 15294371

IUPAC2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide
SMILESCCCCCCCCCCCCN1CCC(C(C)(C)C(=O)N(C)C)CC1
InChIInChI=1S/C23H46N2O/c1-6-7-8-9-10-11-12-13-14-15-18-25-19-16-21(17-20-25)23(2,3)22(26)24(4)5/h21H,6-20H2,1-5H3
InChIKeyFZJXROOEAGCUKT-UHFFFAOYSA-N
MW366.63 g/mol
LogP5.73
Rot. Bonds13

About 2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide

2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide (PubChem CID 15294371) has the molecular formula C23H46N2O and a molecular weight of 366.63 g/mol. Its IUPAC name is 2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide
PubChem CID15294371
Molecular FormulaC23H46N2O
Molecular Weight366.63 g/mol
Exact Mass366.36
IUPAC Name2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide
SMILESCCCCCCCCCCCCN1CCC(C(C)(C)C(=O)N(C)C)CC1
InChIInChI=1S/C23H46N2O/c1-6-7-8-9-10-11-12-13-14-15-18-25-19-16-21(17-20-25)23(2,3)22(26)24(4)5/h21H,6-20H2,1-5H3
InChIKeyFZJXROOEAGCUKT-UHFFFAOYSA-N
XLogP5.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-1-octylpiperidine
CID 171570418
acetic acid;4-ethyl-1-hexylpiperidine
CID 175583898
acetic acid;1-dodecyl-4-ethylpiperidine
CID 175583863
1-octylpiperidin-4-ol
CID 62022103
methanesulfonic acid;4-propyl-1-undecylpiperidine
CID 175583605
4-butyl-1-undecylpiperidine;methanesulfonic acid
CID 175583862
4-butyl-1-hexylpiperidine;methanesulfonic acid
CID 175583852
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
1-octylpiperidine-4-carboxylic acid
CID 14745626
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098
N,2,2-trimethyl-N-(1-propylpiperidin-4-yl)propanamide
CID 64590731
4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100

Frequently Asked Questions

What is the IUPAC name of 2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide?
The IUPAC name of 2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide (CID 15294371) is 2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide is CCCCCCCCCCCCN1CCC(C(C)(C)C(=O)N(C)C)CC1.
What is the InChIKey of 2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide?
The InChIKey is FZJXROOEAGCUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O/c1-6-7-8-9-10-11-12-13-14-15-18-25-19-16-21(17-20-25)23(2,3)22(26)24(4)5/h21H,6-20H2,1-5H3.
What are the key properties of 2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide?
2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide has a molecular weight of 366.63 g/mol, XLogP of 5.73, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dodecylpiperidin-4-yl)-N,N,2-trimethylpropanamide is sourced from PubChem (CID 15294371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).