1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride

C23H49Cl2N3O — CID 11662463

IUPAC1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride
SMILESCCCCCCCCCCCCCCCNC(=O)C1CCN(CCN)CC1.Cl.Cl
InChIInChI=1S/C23H47N3O.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-23(27)22-15-19-26(20-16-22)21-17-24;;/h22H,2-21,24H2,1H3,(H,25,27);2*1H
InChIKeyMUHJMXCRGNUPFK-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.71
Rot. Bonds17

About 1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride

1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 11662463) has the molecular formula C23H49Cl2N3O and a molecular weight of 454.57 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride
PubChem CID11662463
Molecular FormulaC23H49Cl2N3O
Molecular Weight454.57 g/mol
Exact Mass453.33
IUPAC Name1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride
SMILESCCCCCCCCCCCCCCCNC(=O)C1CCN(CCN)CC1.Cl.Cl
InChIInChI=1S/C23H47N3O.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-23(27)22-15-19-26(20-16-22)21-17-24;;/h22H,2-21,24H2,1H3,(H,25,27);2*1H
InChIKeyMUHJMXCRGNUPFK-UHFFFAOYSA-N
XLogP5.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.71
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 1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride (CID 11662463) is 1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride is CCCCCCCCCCCCCCCNC(=O)C1CCN(CCN)CC1.Cl.Cl.
What is the InChIKey of 1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is MUHJMXCRGNUPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N3O.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-23(27)22-15-19-26(20-16-22)21-17-24;;/h22H,2-21,24H2,1H3,(H,25,27);2*1H.
What are the key properties of 1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride?
1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 454.57 g/mol, XLogP of 5.71, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 11662463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).