N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide

C25H49N3O2 — CID 23503497

IUPACN-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide
SMILESCCCCCCCCCCCCC(=O)N1CCCCC1C(=O)NCCCCCCN
InChIInChI=1S/C25H49N3O2/c1-2-3-4-5-6-7-8-9-10-13-19-24(29)28-22-17-14-18-23(28)25(30)27-21-16-12-11-15-20-26/h23H,2-22,26H2,1H3,(H,27,30)
InChIKeyFZRPRRCXGGAZEW-UHFFFAOYSA-N
MW423.69 g/mol
LogP5.31
Rot. Bonds18

About N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide

N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide (PubChem CID 23503497) has the molecular formula C25H49N3O2 and a molecular weight of 423.69 g/mol. Its IUPAC name is N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide
PubChem CID23503497
Molecular FormulaC25H49N3O2
Molecular Weight423.69 g/mol
Exact Mass423.38
IUPAC NameN-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide
SMILESCCCCCCCCCCCCC(=O)N1CCCCC1C(=O)NCCCCCCN
InChIInChI=1S/C25H49N3O2/c1-2-3-4-5-6-7-8-9-10-13-19-24(29)28-22-17-14-18-23(28)25(30)27-21-16-12-11-15-20-26/h23H,2-22,26H2,1H3,(H,27,30)
InChIKeyFZRPRRCXGGAZEW-UHFFFAOYSA-N
XLogP5.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.69
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
CID 69288781
(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide
CID 69288111
(2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine
CID 172840576
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
tert-butyl N-[6-[(1-tridecanoylpiperidine-2-carbonyl)amino]hexyl]carbamate
CID 69287176
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
CID 10293594
[(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate
CID 69288071
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275
N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide
CID 152904698
N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide
CID 139965431
N-(5-aminopentyl)-2-(1-tridecanoylpyrrolidin-2-yl)acetamide
CID 139965363

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide?
The IUPAC name of N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide (CID 23503497) is N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide is CCCCCCCCCCCCC(=O)N1CCCCC1C(=O)NCCCCCCN.
What is the InChIKey of N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide?
The InChIKey is FZRPRRCXGGAZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49N3O2/c1-2-3-4-5-6-7-8-9-10-13-19-24(29)28-22-17-14-18-23(28)25(30)27-21-16-12-11-15-20-26/h23H,2-22,26H2,1H3,(H,27,30).
What are the key properties of N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide?
N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide has a molecular weight of 423.69 g/mol, XLogP of 5.31, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide is sourced from PubChem (CID 23503497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).