(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide

C17H33N3O2 — CID 69288781

IUPAC(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
SMILESCCCCCC(=O)N1CCCC[C@@H]1C(=O)NCCCCCN
InChIInChI=1S/C17H33N3O2/c1-2-3-5-11-16(21)20-14-9-6-10-15(20)17(22)19-13-8-4-7-12-18/h15H,2-14,18H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyFZVYQGCSQTUXAC-OAHLLOKOSA-N
MW311.47 g/mol
LogP2.19
Rot. Bonds10

About (2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide

(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide (PubChem CID 69288781) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is (2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
PubChem CID69288781
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
SMILESCCCCCC(=O)N1CCCC[C@@H]1C(=O)NCCCCCN
InChIInChI=1S/C17H33N3O2/c1-2-3-5-11-16(21)20-14-9-6-10-15(20)17(22)19-13-8-4-7-12-18/h15H,2-14,18H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyFZVYQGCSQTUXAC-OAHLLOKOSA-N
XLogP2.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.19
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

N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide
CID 23503497
(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 (2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide (CID 69288781) is (2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide is CCCCCC(=O)N1CCCC[C@@H]1C(=O)NCCCCCN.
What is the InChIKey of (2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide?
The InChIKey is FZVYQGCSQTUXAC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-2-3-5-11-16(21)20-14-9-6-10-15(20)17(22)19-13-8-4-7-12-18/h15H,2-14,18H2,1H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide?
(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide is sourced from PubChem (CID 69288781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).