3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide

C14H28N2O2 — CID 114084318

IUPAC3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide
SMILESCC(C)COCCNC(=O)C1NCCCC1(C)C
InChIInChI=1S/C14H28N2O2/c1-11(2)10-18-9-8-16-13(17)12-14(3,4)6-5-7-15-12/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyMSWYTTHWSADYPH-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.55
Rot. Bonds6

About 3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide

3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide (PubChem CID 114084318) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide
PubChem CID114084318
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide
SMILESCC(C)COCCNC(=O)C1NCCCC1(C)C
InChIInChI=1S/C14H28N2O2/c1-11(2)10-18-9-8-16-13(17)12-14(3,4)6-5-7-15-12/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyMSWYTTHWSADYPH-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.55
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 3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide?
The IUPAC name of 3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide (CID 114084318) is 3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide is CC(C)COCCNC(=O)C1NCCCC1(C)C.
What is the InChIKey of 3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide?
The InChIKey is MSWYTTHWSADYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)10-18-9-8-16-13(17)12-14(3,4)6-5-7-15-12/h11-12,15H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide?
3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 114084318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).