2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide

C21H41N3O2 — CID 19778224

IUPAC2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide
SMILESCCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)CN
InChIInChI=1S/C21H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-15-21(26)24-16-13-12-14-19(24)18-23-20(25)17-22/h19H,2-18,22H2,1H3,(H,23,25)
InChIKeyQCXAYYFDVOJFBE-UHFFFAOYSA-N
MW367.58 g/mol
LogP3.75
Rot. Bonds14

About 2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide

2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide (PubChem CID 19778224) has the molecular formula C21H41N3O2 and a molecular weight of 367.58 g/mol. Its IUPAC name is 2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide
PubChem CID19778224
Molecular FormulaC21H41N3O2
Molecular Weight367.58 g/mol
Exact Mass367.32
IUPAC Name2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide
SMILESCCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)CN
InChIInChI=1S/C21H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-15-21(26)24-16-13-12-14-19(24)18-23-20(25)17-22/h19H,2-18,22H2,1H3,(H,23,25)
InChIKeyQCXAYYFDVOJFBE-UHFFFAOYSA-N
XLogP3.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 53.75
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 2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide (CID 19778224) is 2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide is CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)CN.
What is the InChIKey of 2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide?
The InChIKey is QCXAYYFDVOJFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-15-21(26)24-16-13-12-14-19(24)18-23-20(25)17-22/h19H,2-18,22H2,1H3,(H,23,25).
What are the key properties of 2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide?
2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide has a molecular weight of 367.58 g/mol, XLogP of 3.75, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide is sourced from PubChem (CID 19778224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).