(2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide

C25H50N4O2 — CID 15072988

IUPAC(2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide
SMILESCCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)[C@H](N)CCCCN
InChIInChI=1S/C25H50N4O2/c1-2-3-4-5-6-7-8-9-10-11-18-24(30)29-20-15-13-16-22(29)21-28-25(31)23(27)17-12-14-19-26/h22-23H,2-21,26-27H2,1H3,(H,28,31)/t22?,23-/m1/s1
InChIKeyHXQRGYNEDCHJPJ-OZAIVSQSSA-N
MW438.70 g/mol
LogP4.25
Rot. Bonds18

About (2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide

(2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide (PubChem CID 15072988) has the molecular formula C25H50N4O2 and a molecular weight of 438.70 g/mol. Its IUPAC name is (2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide.

Molecular Properties

Compound Name(2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide
PubChem CID15072988
Molecular FormulaC25H50N4O2
Molecular Weight438.70 g/mol
Exact Mass438.39
IUPAC Name(2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide
SMILESCCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)[C@H](N)CCCCN
InChIInChI=1S/C25H50N4O2/c1-2-3-4-5-6-7-8-9-10-11-18-24(30)29-20-15-13-16-22(29)21-28-25(31)23(27)17-12-14-19-26/h22-23H,2-21,26-27H2,1H3,(H,28,31)/t22?,23-/m1/s1
InChIKeyHXQRGYNEDCHJPJ-OZAIVSQSSA-N
XLogP4.25
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.70
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide?
The IUPAC name of (2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide (CID 15072988) is (2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide.
What is the SMILES notation for (2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide?
The canonical SMILES for (2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide is CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)[C@H](N)CCCCN.
What is the InChIKey of (2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide?
The InChIKey is HXQRGYNEDCHJPJ-OZAIVSQSSA-N. The full InChI is InChI=1S/C25H50N4O2/c1-2-3-4-5-6-7-8-9-10-11-18-24(30)29-20-15-13-16-22(29)21-28-25(31)23(27)17-12-14-19-26/h22-23H,2-21,26-27H2,1H3,(H,28,31)/t22?,23-/m1/s1.
What are the key properties of (2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide?
(2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide has a molecular weight of 438.70 g/mol, XLogP of 4.25, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide is sourced from PubChem (CID 15072988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).