N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide

C12H22N2O2 — CID 134435204

IUPACN-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide
SMILESCN1CCC(NC(=O)C2(C)CCC2)C(O)C1
InChIInChI=1S/C12H22N2O2/c1-12(5-3-6-12)11(16)13-9-4-7-14(2)8-10(9)15/h9-10,15H,3-8H2,1-2H3,(H,13,16)
InChIKeyZLZIDPURWRVMNC-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds2

About N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide

N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide (PubChem CID 134435204) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide
PubChem CID134435204
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide
SMILESCN1CCC(NC(=O)C2(C)CCC2)C(O)C1
InChIInChI=1S/C12H22N2O2/c1-12(5-3-6-12)11(16)13-9-4-7-14(2)8-10(9)15/h9-10,15H,3-8H2,1-2H3,(H,13,16)
InChIKeyZLZIDPURWRVMNC-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide (CID 134435204) is N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide is CN1CCC(NC(=O)C2(C)CCC2)C(O)C1.
What is the InChIKey of N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide?
The InChIKey is ZLZIDPURWRVMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(5-3-6-12)11(16)13-9-4-7-14(2)8-10(9)15/h9-10,15H,3-8H2,1-2H3,(H,13,16).
What are the key properties of N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide?
N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 134435204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).