1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide

C20H39N3O2 — CID 4180284

IUPAC1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCCCCCCCCCCCCNC(=O)CN1CCCC(C(N)=O)C1
InChIInChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-22-19(24)17-23-15-12-13-18(16-23)20(21)25/h18H,2-17H2,1H3,(H2,21,25)(H,22,24)
InChIKeyGGSFBZYPHYHMTA-UHFFFAOYSA-N
MW353.55 g/mol
LogP3.22
Rot. Bonds14

About 1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide

1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 4180284) has the molecular formula C20H39N3O2 and a molecular weight of 353.55 g/mol. Its IUPAC name is 1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID4180284
Molecular FormulaC20H39N3O2
Molecular Weight353.55 g/mol
Exact Mass353.30
IUPAC Name1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCCCCCCCCCCCCNC(=O)CN1CCCC(C(N)=O)C1
InChIInChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-22-19(24)17-23-15-12-13-18(16-23)20(21)25/h18H,2-17H2,1H3,(H2,21,25)(H,22,24)
InChIKeyGGSFBZYPHYHMTA-UHFFFAOYSA-N
XLogP3.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 53.22
H-Bond Donors ≤ 52
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 1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide (CID 4180284) is 1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide is CCCCCCCCCCCCNC(=O)CN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is GGSFBZYPHYHMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-22-19(24)17-23-15-12-13-18(16-23)20(21)25/h18H,2-17H2,1H3,(H2,21,25)(H,22,24).
What are the key properties of 1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide?
1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 353.55 g/mol, XLogP of 3.22, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dodecylamino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 4180284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).