1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide

C17H25N3O4 — CID 56798865

IUPAC1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(OCCCNC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C17H25N3O4/c1-23-14-3-5-15(6-4-14)24-12-2-9-19-17(22)20-10-7-13(8-11-20)16(18)21/h3-6,13H,2,7-12H2,1H3,(H2,18,21)(H,19,22)
InChIKeyVIBWQSOQBXSQKH-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.37
Rot. Bonds7

About 1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide

1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide (PubChem CID 56798865) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide
PubChem CID56798865
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(OCCCNC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C17H25N3O4/c1-23-14-3-5-15(6-4-14)24-12-2-9-19-17(22)20-10-7-13(8-11-20)16(18)21/h3-6,13H,2,7-12H2,1H3,(H2,18,21)(H,19,22)
InChIKeyVIBWQSOQBXSQKH-UHFFFAOYSA-N
XLogP1.37
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.37
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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Related Compounds

1-[3-(3,5-dimethoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122005787
ethyl 1-[N-[3-(4-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111155884
4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110265
N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide
CID 108881332
1-N-(2-naphthalen-1-yloxyethyl)piperidine-1,4-dicarboxamide
CID 56797933
N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide
CID 108882798
4-hydroxy-N-[3-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 118398472
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005367
methyl 4-[3-(4-methylphenoxy)propylcarbamoyl]piperazine-1-carboxylate
CID 108881529
tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate
CID 51232746
(3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide
CID 95598534
N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 22830514

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide (CID 56798865) is 1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide is COc1ccc(OCCCNC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide?
The InChIKey is VIBWQSOQBXSQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-23-14-3-5-15(6-4-14)24-12-2-9-19-17(22)20-10-7-13(8-11-20)16(18)21/h3-6,13H,2,7-12H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of 1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide?
1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 56798865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).