4-ethyl-N-methoxypiperidine-4-carboxamide

C9H18N2O2 — CID 64974919

IUPAC4-ethyl-N-methoxypiperidine-4-carboxamide
SMILESCCC1(C(=O)NOC)CCNCC1
InChIInChI=1S/C9H18N2O2/c1-3-9(8(12)11-13-2)4-6-10-7-5-9/h10H,3-7H2,1-2H3,(H,11,12)
InChIKeyAGSZWTHLXZFSFO-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.44
Rot. Bonds3

About 4-ethyl-N-methoxypiperidine-4-carboxamide

4-ethyl-N-methoxypiperidine-4-carboxamide (PubChem CID 64974919) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-ethyl-N-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methoxypiperidine-4-carboxamide
PubChem CID64974919
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-ethyl-N-methoxypiperidine-4-carboxamide
SMILESCCC1(C(=O)NOC)CCNCC1
InChIInChI=1S/C9H18N2O2/c1-3-9(8(12)11-13-2)4-6-10-7-5-9/h10H,3-7H2,1-2H3,(H,11,12)
InChIKeyAGSZWTHLXZFSFO-UHFFFAOYSA-N
XLogP0.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methoxypiperidine-4-carboxamide?
The IUPAC name of 4-ethyl-N-methoxypiperidine-4-carboxamide (CID 64974919) is 4-ethyl-N-methoxypiperidine-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-methoxypiperidine-4-carboxamide?
The canonical SMILES for 4-ethyl-N-methoxypiperidine-4-carboxamide is CCC1(C(=O)NOC)CCNCC1.
What is the InChIKey of 4-ethyl-N-methoxypiperidine-4-carboxamide?
The InChIKey is AGSZWTHLXZFSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-9(8(12)11-13-2)4-6-10-7-5-9/h10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 4-ethyl-N-methoxypiperidine-4-carboxamide?
4-ethyl-N-methoxypiperidine-4-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 64974919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).