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

C14H28N2O2 — CID 142326921

IUPACethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide
SMILESCC.CN1CCC(NC(=O)C2(C)CCC2)C(O)C1
InChIInChI=1S/C12H22N2O2.C2H6/c1-12(5-3-6-12)11(16)13-9-4-7-14(2)8-10(9)15;1-2/h9-10,15H,3-8H2,1-2H3,(H,13,16);1-2H3
InChIKeyMTYHKFJGZDGFMU-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.38
Rot. Bonds2

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

ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide (PubChem CID 142326921) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Nameethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide
PubChem CID142326921
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide
SMILESCC.CN1CCC(NC(=O)C2(C)CCC2)C(O)C1
InChIInChI=1S/C12H22N2O2.C2H6/c1-12(5-3-6-12)11(16)13-9-4-7-14(2)8-10(9)15;1-2/h9-10,15H,3-8H2,1-2H3,(H,13,16);1-2H3
InChIKeyMTYHKFJGZDGFMU-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide?
The IUPAC name of ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide (CID 142326921) is ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide.
What is the SMILES notation for ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide?
The canonical SMILES for ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide is CC.CN1CCC(NC(=O)C2(C)CCC2)C(O)C1.
What is the InChIKey of ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide?
The InChIKey is MTYHKFJGZDGFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.C2H6/c1-12(5-3-6-12)11(16)13-9-4-7-14(2)8-10(9)15;1-2/h9-10,15H,3-8H2,1-2H3,(H,13,16);1-2H3.
What are the key properties of ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide?
ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 142326921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).