2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride

C26H54Cl2N4O2 — CID 19778254

IUPAC2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride
SMILESCCCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)C(N)CCCCN.Cl.Cl
InChIInChI=1S/C26H52N4O2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-25(31)30-21-16-14-17-23(30)22-29-26(32)24(28)18-13-15-20-27;;/h23-24H,2-22,27-28H2,1H3,(H,29,32);2*1H
InChIKeyXPQRBGPKCKGECW-UHFFFAOYSA-N
MW525.65 g/mol
LogP5.48
Rot. Bonds19

About 2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride

2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride (PubChem CID 19778254) has the molecular formula C26H54Cl2N4O2 and a molecular weight of 525.65 g/mol. Its IUPAC name is 2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride.

Molecular Properties

Compound Name2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride
PubChem CID19778254
Molecular FormulaC26H54Cl2N4O2
Molecular Weight525.65 g/mol
Exact Mass524.36
IUPAC Name2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride
SMILESCCCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)C(N)CCCCN.Cl.Cl
InChIInChI=1S/C26H52N4O2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-25(31)30-21-16-14-17-23(30)22-29-26(32)24(28)18-13-15-20-27;;/h23-24H,2-22,27-28H2,1H3,(H,29,32);2*1H
InChIKeyXPQRBGPKCKGECW-UHFFFAOYSA-N
XLogP5.48
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 55.48
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 2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride?
The IUPAC name of 2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride (CID 19778254) is 2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride.
What is the SMILES notation for 2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride?
The canonical SMILES for 2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride is CCCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)C(N)CCCCN.Cl.Cl.
What is the InChIKey of 2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride?
The InChIKey is XPQRBGPKCKGECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N4O2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-25(31)30-21-16-14-17-23(30)22-29-26(32)24(28)18-13-15-20-27;;/h23-24H,2-22,27-28H2,1H3,(H,29,32);2*1H.
What are the key properties of 2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride?
2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride has a molecular weight of 525.65 g/mol, XLogP of 5.48, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride is sourced from PubChem (CID 19778254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).