ethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide

C11H24N2O2 — CID 176713154

IUPACethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide
SMILESCC.CNC(=O)N1CC(C)CC(CO)C1
InChIInChI=1S/C9H18N2O2.C2H6/c1-7-3-8(6-12)5-11(4-7)9(13)10-2;1-2/h7-8,12H,3-6H2,1-2H3,(H,10,13);1-2H3
InChIKeyABBBUKHZCBJXDR-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.30
Rot. Bonds1

About ethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide

ethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide (PubChem CID 176713154) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Nameethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide
PubChem CID176713154
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nameethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide
SMILESCC.CNC(=O)N1CC(C)CC(CO)C1
InChIInChI=1S/C9H18N2O2.C2H6/c1-7-3-8(6-12)5-11(4-7)9(13)10-2;1-2/h7-8,12H,3-6H2,1-2H3,(H,10,13);1-2H3
InChIKeyABBBUKHZCBJXDR-UHFFFAOYSA-N
XLogP1.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of ethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide (CID 176713154) is ethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for ethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for ethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide is CC.CNC(=O)N1CC(C)CC(CO)C1.
What is the InChIKey of ethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide?
The InChIKey is ABBBUKHZCBJXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C2H6/c1-7-3-8(6-12)5-11(4-7)9(13)10-2;1-2/h7-8,12H,3-6H2,1-2H3,(H,10,13);1-2H3.
What are the key properties of ethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide?
ethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide has a molecular weight of 216.32 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 176713154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).