N-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide

C13H24N2O2 — CID 134557426

IUPACN-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide
SMILESCCN1CCC(NC(=O)C2(C)CCC2)C(O)C1
InChIInChI=1S/C13H24N2O2/c1-3-15-8-5-10(11(16)9-15)14-12(17)13(2)6-4-7-13/h10-11,16H,3-9H2,1-2H3,(H,14,17)
InChIKeySEAOYOZODGQWLQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds3

About N-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide

N-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide (PubChem CID 134557426) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide
PubChem CID134557426
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide
SMILESCCN1CCC(NC(=O)C2(C)CCC2)C(O)C1
InChIInChI=1S/C13H24N2O2/c1-3-15-8-5-10(11(16)9-15)14-12(17)13(2)6-4-7-13/h10-11,16H,3-9H2,1-2H3,(H,14,17)
InChIKeySEAOYOZODGQWLQ-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide (CID 134557426) is N-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide is CCN1CCC(NC(=O)C2(C)CCC2)C(O)C1.
What is the InChIKey of N-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide?
The InChIKey is SEAOYOZODGQWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-15-8-5-10(11(16)9-15)14-12(17)13(2)6-4-7-13/h10-11,16H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide?
N-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-hydroxypiperidin-4-yl)-1-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 134557426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).