ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide

C15H31N3O — CID 166167704

IUPACethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCC.CNC(=O)C1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3O.C2H6/c1-14-13(17)11-3-9-16(10-4-11)12-5-7-15(2)8-6-12;1-2/h11-12H,3-10H2,1-2H3,(H,14,17);1-2H3
InChIKeyAKHQREYKBAOMGC-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.56
Rot. Bonds2

About ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide

ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide (PubChem CID 166167704) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Nameethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
PubChem CID166167704
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Nameethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCC.CNC(=O)C1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3O.C2H6/c1-14-13(17)11-3-9-16(10-4-11)12-5-7-15(2)8-6-12;1-2/h11-12H,3-10H2,1-2H3,(H,14,17);1-2H3
InChIKeyAKHQREYKBAOMGC-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide (CID 166167704) is ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide is CC.CNC(=O)C1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
The InChIKey is AKHQREYKBAOMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.C2H6/c1-14-13(17)11-3-9-16(10-4-11)12-5-7-15(2)8-6-12;1-2/h11-12H,3-10H2,1-2H3,(H,14,17);1-2H3.
What are the key properties of ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 166167704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).