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

C17H33N3O2 — CID 23515318

IUPAC(2S)-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-/m0/s1
InChIKeyFZVYQGCSQTUXAC-HNNXBMFYSA-N
MW311.47 g/mol
LogP2.19
Rot. Bonds10

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

(2S)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide (PubChem CID 23515318) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is (2S)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
PubChem CID23515318
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name(2S)-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-/m0/s1
InChIKeyFZVYQGCSQTUXAC-HNNXBMFYSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide (CID 23515318) is (2S)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide is CCCCCC(=O)N1CCCC[C@H]1C(=O)NCCCCCN.
What is the InChIKey of (2S)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide?
The InChIKey is FZVYQGCSQTUXAC-HNNXBMFYSA-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-/m0/s1.
What are the key properties of (2S)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide?
(2S)-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 (2S)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide is sourced from PubChem (CID 23515318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).