4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide

C23H30N2O2 — CID 112973670

IUPAC4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(OCCNC(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O2/c1-18-8-9-22(19(2)16-18)27-15-12-24-23(26)25-13-10-21(11-14-25)17-20-6-4-3-5-7-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,24,26)
InChIKeyOTUWFUZFPVRNOC-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.35
Rot. Bonds6

About 4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide

4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide (PubChem CID 112973670) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide
PubChem CID112973670
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(OCCNC(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O2/c1-18-8-9-22(19(2)16-18)27-15-12-24-23(26)25-13-10-21(11-14-25)17-20-6-4-3-5-7-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,24,26)
InChIKeyOTUWFUZFPVRNOC-UHFFFAOYSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.35
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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Related Compounds

4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
CID 112969940
N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112973603
N-[2-(2,4-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112973642
N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112973614
4-benzyl-N-[2-(4-chloro-2-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112976510
3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 131911189
4-(3-chlorophenyl)-N-[2-(2,4-dimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112973655
4-benzyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113214035
N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide
CID 26446526
4-benzyl-N-[2-(2-methylphenoxy)ethyl]-1,4-diazepane-1-carboxamide
CID 55931486
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112976841
N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
CID 36962711

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide (CID 112973670) is 4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide is Cc1ccc(OCCNC(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1.
What is the InChIKey of 4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide?
The InChIKey is OTUWFUZFPVRNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18-8-9-22(19(2)16-18)27-15-12-24-23(26)25-13-10-21(11-14-25)17-20-6-4-3-5-7-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,24,26).
What are the key properties of 4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide?
4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 112973670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).