3-ethyl-4-(methylamino)piperidine-4-carboxamide

C9H19N3O — CID 114508060

IUPAC3-ethyl-4-(methylamino)piperidine-4-carboxamide
SMILESCCC1CNCCC1(NC)C(N)=O
InChIInChI=1S/C9H19N3O/c1-3-7-6-12-5-4-9(7,11-2)8(10)13/h7,11-12H,3-6H2,1-2H3,(H2,10,13)
InChIKeyUWBFGMIPXFPEQW-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.55
Rot. Bonds3

About 3-ethyl-4-(methylamino)piperidine-4-carboxamide

3-ethyl-4-(methylamino)piperidine-4-carboxamide (PubChem CID 114508060) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-ethyl-4-(methylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-4-(methylamino)piperidine-4-carboxamide
PubChem CID114508060
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-ethyl-4-(methylamino)piperidine-4-carboxamide
SMILESCCC1CNCCC1(NC)C(N)=O
InChIInChI=1S/C9H19N3O/c1-3-7-6-12-5-4-9(7,11-2)8(10)13/h7,11-12H,3-6H2,1-2H3,(H2,10,13)
InChIKeyUWBFGMIPXFPEQW-UHFFFAOYSA-N
XLogP-0.55
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(methylamino)piperidine-4-carboxamide?
The IUPAC name of 3-ethyl-4-(methylamino)piperidine-4-carboxamide (CID 114508060) is 3-ethyl-4-(methylamino)piperidine-4-carboxamide.
What is the SMILES notation for 3-ethyl-4-(methylamino)piperidine-4-carboxamide?
The canonical SMILES for 3-ethyl-4-(methylamino)piperidine-4-carboxamide is CCC1CNCCC1(NC)C(N)=O.
What is the InChIKey of 3-ethyl-4-(methylamino)piperidine-4-carboxamide?
The InChIKey is UWBFGMIPXFPEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-7-6-12-5-4-9(7,11-2)8(10)13/h7,11-12H,3-6H2,1-2H3,(H2,10,13).
What are the key properties of 3-ethyl-4-(methylamino)piperidine-4-carboxamide?
3-ethyl-4-(methylamino)piperidine-4-carboxamide has a molecular weight of 185.27 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(methylamino)piperidine-4-carboxamide is sourced from PubChem (CID 114508060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).