N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide

C18H28N2O2 — CID 60577700

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C18H28N2O2/c1-13-7-14(2)10-17(9-13)22-6-5-19-18(21)20-11-15(3)8-16(4)12-20/h7,9-10,15-16H,5-6,8,11-12H2,1-4H3,(H,19,21)
InChIKeyFVPWAHQNZTUPOI-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.37
Rot. Bonds4

About N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide

N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 60577700) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide
PubChem CID60577700
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C18H28N2O2/c1-13-7-14(2)10-17(9-13)22-6-5-19-18(21)20-11-15(3)8-16(4)12-20/h7,9-10,15-16H,5-6,8,11-12H2,1-4H3,(H,19,21)
InChIKeyFVPWAHQNZTUPOI-UHFFFAOYSA-N
XLogP3.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide (CID 60577700) is N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide is Cc1cc(C)cc(OCCNC(=O)N2CC(C)CC(C)C2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is FVPWAHQNZTUPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-7-14(2)10-17(9-13)22-6-5-19-18(21)20-11-15(3)8-16(4)12-20/h7,9-10,15-16H,5-6,8,11-12H2,1-4H3,(H,19,21).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 60577700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).