N-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride

C43H79ClN2O3 — CID 134231463

IUPACN-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride
SMILESCCCCCCCCCCCCCCOCC(CNC(=O)c1cccc(C2CCNCC2)c1)OCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C43H78N2O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-34-47-38-42(48-35-26-24-22-20-18-16-14-12-10-8-6-4-2)37-45-43(46)41-29-27-28-40(36-41)39-30-32-44-33-31-39;/h27-29,36,39,42,44H,3-26,30-35,37-38H2,1-2H3,(H,45,46);1H
InChIKeyMPZPZTBAZGHIJI-UHFFFAOYSA-N
MW707.57 g/mol
LogP12.11
Rot. Bonds33

About N-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride

N-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 134231463) has the molecular formula C43H79ClN2O3 and a molecular weight of 707.57 g/mol. Its IUPAC name is N-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride
PubChem CID134231463
Molecular FormulaC43H79ClN2O3
Molecular Weight707.57 g/mol
Exact Mass706.58
IUPAC NameN-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride
SMILESCCCCCCCCCCCCCCOCC(CNC(=O)c1cccc(C2CCNCC2)c1)OCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C43H78N2O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-34-47-38-42(48-35-26-24-22-20-18-16-14-12-10-8-6-4-2)37-45-43(46)41-29-27-28-40(36-41)39-30-32-44-33-31-39;/h27-29,36,39,42,44H,3-26,30-35,37-38H2,1-2H3,(H,45,46);1H
InChIKeyMPZPZTBAZGHIJI-UHFFFAOYSA-N
XLogP12.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds33
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.57
LogP ≤ 512.11
H-Bond Donors ≤ 52
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 N-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of N-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride (CID 134231463) is N-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for N-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for N-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride is CCCCCCCCCCCCCCOCC(CNC(=O)c1cccc(C2CCNCC2)c1)OCCCCCCCCCCCCCC.Cl.
What is the InChIKey of N-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is MPZPZTBAZGHIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H78N2O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-34-47-38-42(48-35-26-24-22-20-18-16-14-12-10-8-6-4-2)37-45-43(46)41-29-27-28-40(36-41)39-30-32-44-33-31-39;/h27-29,36,39,42,44H,3-26,30-35,37-38H2,1-2H3,(H,45,46);1H.
What are the key properties of N-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride?
N-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 707.57 g/mol, XLogP of 12.11, 33 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 134231463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).