1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide

C24H47N3O2 — CID 11503228

IUPAC1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide
SMILESCCCCCCCCCCCCCCCNC(=O)C1CCN(CCNC=O)CC1
InChIInChI=1S/C24H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26-24(29)23-15-19-27(20-16-23)21-18-25-22-28/h22-23H,2-21H2,1H3,(H,25,28)(H,26,29)
InChIKeyPXSKFQMVTQOYJI-UHFFFAOYSA-N
MW409.66 g/mol
LogP4.65
Rot. Bonds19

About 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide

1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide (PubChem CID 11503228) has the molecular formula C24H47N3O2 and a molecular weight of 409.66 g/mol. Its IUPAC name is 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide
PubChem CID11503228
Molecular FormulaC24H47N3O2
Molecular Weight409.66 g/mol
Exact Mass409.37
IUPAC Name1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide
SMILESCCCCCCCCCCCCCCCNC(=O)C1CCN(CCNC=O)CC1
InChIInChI=1S/C24H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26-24(29)23-15-19-27(20-16-23)21-18-25-22-28/h22-23H,2-21H2,1H3,(H,25,28)(H,26,29)
InChIKeyPXSKFQMVTQOYJI-UHFFFAOYSA-N
XLogP4.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.66
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Piperazine, 1-(2-propylvaleryl)-
CID 201027
2-ethyl-N-{2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl}butanamide
CID 832075
2-ethyl-N-[3-[4-[3-(2-ethylhexanoylamino)propyl]piperazin-1-yl]propyl]hexanamide
CID 2930947
1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride
CID 11503227
N-pentadecylpiperidine-4-carboxamide;hydrochloride
CID 11660783
1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride
CID 11662463
N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide
CID 44592952
1-butanoyl-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501182
1-(2,2-dimethylpropanoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501765
1-acetyl-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501889
N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 16769085
5-{[1-(3-Methylbutanoyl)-4-piperidyl]carbonyl}-1,5-diazacycloundecan-2-one
CID 110201673

Frequently Asked Questions

What is the IUPAC name of 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide (CID 11503228) is 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide is CCCCCCCCCCCCCCCNC(=O)C1CCN(CCNC=O)CC1.
What is the InChIKey of 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide?
The InChIKey is PXSKFQMVTQOYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26-24(29)23-15-19-27(20-16-23)21-18-25-22-28/h22-23H,2-21H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide?
1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide has a molecular weight of 409.66 g/mol, XLogP of 4.65, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide is sourced from PubChem (CID 11503228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).