4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C14H27N3O3 — CID 3236681

IUPAC4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-4-20-11-5-8-15-13(18)12-6-9-17(10-7-12)14(19)16(2)3/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyUYTXWSVGKRYYIA-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.92
Rot. Bonds6

About 4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 3236681) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID3236681
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-4-20-11-5-8-15-13(18)12-6-9-17(10-7-12)14(19)16(2)3/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyUYTXWSVGKRYYIA-UHFFFAOYSA-N
XLogP0.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 3236681) is 4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CCOCCCNC(=O)C1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is UYTXWSVGKRYYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-20-11-5-8-15-13(18)12-6-9-17(10-7-12)14(19)16(2)3/h12H,4-11H2,1-3H3,(H,15,18).
What are the key properties of 4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 285.39 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethoxypropyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 3236681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).