1-octadecylpiperidine-4-carboxamide

C24H48N2O — CID 4134920

IUPAC1-octadecylpiperidine-4-carboxamide
SMILESCCCCCCCCCCCCCCCCCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C24H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-21-18-23(19-22-26)24(25)27/h23H,2-22H2,1H3,(H2,25,27)
InChIKeyUSEZYWLQFDBGAK-UHFFFAOYSA-N
MW380.66 g/mol
LogP6.45
Rot. Bonds18

About 1-octadecylpiperidine-4-carboxamide

1-octadecylpiperidine-4-carboxamide (PubChem CID 4134920) has the molecular formula C24H48N2O and a molecular weight of 380.66 g/mol. Its IUPAC name is 1-octadecylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-octadecylpiperidine-4-carboxamide
PubChem CID4134920
Molecular FormulaC24H48N2O
Molecular Weight380.66 g/mol
Exact Mass380.38
IUPAC Name1-octadecylpiperidine-4-carboxamide
SMILESCCCCCCCCCCCCCCCCCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C24H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-21-18-23(19-22-26)24(25)27/h23H,2-22H2,1H3,(H2,25,27)
InChIKeyUSEZYWLQFDBGAK-UHFFFAOYSA-N
XLogP6.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propylpiperidine-4-carboxamide
CID 18678413
1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 174854597
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
1-[4-[(N'-methyl-N-pentylcarbamimidoyl)amino]butyl]piperidine-4-carboxamide
CID 111129273
1-(6-methoxyhexyl)piperidine-4-carboxamide
CID 139907421
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
N'-hydroxy-1-pentylpiperidine-4-carboximidamide
CID 77038507
1-[4-[(N'-octylcarbamimidoyl)amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111060520
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 139907414
1-octylpiperidin-4-ol
CID 62022103

Frequently Asked Questions

What is the IUPAC name of 1-octadecylpiperidine-4-carboxamide?
The IUPAC name of 1-octadecylpiperidine-4-carboxamide (CID 4134920) is 1-octadecylpiperidine-4-carboxamide.
What is the SMILES notation for 1-octadecylpiperidine-4-carboxamide?
The canonical SMILES for 1-octadecylpiperidine-4-carboxamide is CCCCCCCCCCCCCCCCCCN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-octadecylpiperidine-4-carboxamide?
The InChIKey is USEZYWLQFDBGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-21-18-23(19-22-26)24(25)27/h23H,2-22H2,1H3,(H2,25,27).
What are the key properties of 1-octadecylpiperidine-4-carboxamide?
1-octadecylpiperidine-4-carboxamide has a molecular weight of 380.66 g/mol, XLogP of 6.45, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadecylpiperidine-4-carboxamide is sourced from PubChem (CID 4134920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).