N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide

C16H24N2O4 — CID 112975604

IUPACN-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide
SMILESCOc1cc(OC)cc(OCCNC(=O)N2CCCCC2)c1
InChIInChI=1S/C16H24N2O4/c1-20-13-10-14(21-2)12-15(11-13)22-9-6-17-16(19)18-7-4-3-5-8-18/h10-12H,3-9H2,1-2H3,(H,17,19)
InChIKeyFMTDPFWVVQVGKL-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.28
Rot. Bonds6

About N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide

N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide (PubChem CID 112975604) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide
PubChem CID112975604
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide
SMILESCOc1cc(OC)cc(OCCNC(=O)N2CCCCC2)c1
InChIInChI=1S/C16H24N2O4/c1-20-13-10-14(21-2)12-15(11-13)22-9-6-17-16(19)18-7-4-3-5-8-18/h10-12H,3-9H2,1-2H3,(H,17,19)
InChIKeyFMTDPFWVVQVGKL-UHFFFAOYSA-N
XLogP2.28
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122006872
1-[3-(3,5-dimethoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122005787
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112975652
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
CID 112975668
N-[2-(3,4-difluorophenoxy)ethyl]azepane-1-carboxamide
CID 112976355
N-[2-(4-propan-2-ylphenoxy)ethyl]azepane-1-carboxamide
CID 112972579
N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide
CID 108881332
N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112971818
4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110265
4-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112973954
1-(azepan-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 112978566

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide (CID 112975604) is N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide is COc1cc(OC)cc(OCCNC(=O)N2CCCCC2)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide?
The InChIKey is FMTDPFWVVQVGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-20-13-10-14(21-2)12-15(11-13)22-9-6-17-16(19)18-7-4-3-5-8-18/h10-12H,3-9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide?
N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 112975604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).