ethane;1-methoxypropane;1-methylpiperidine-4-carboxamide

C13H30N2O2 — CID 166075816

IUPACethane;1-methoxypropane;1-methylpiperidine-4-carboxamide
SMILESCC.CCCOC.CN1CCC(C(N)=O)CC1
InChIInChI=1S/C7H14N2O.C4H10O.C2H6/c1-9-4-2-6(3-5-9)7(8)10;1-3-4-5-2;1-2/h6H,2-5H2,1H3,(H2,8,10);3-4H2,1-2H3;1-2H3
InChIKeyVKBQLVKSCUQPDY-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.88
Rot. Bonds3

About ethane;1-methoxypropane;1-methylpiperidine-4-carboxamide

ethane;1-methoxypropane;1-methylpiperidine-4-carboxamide (PubChem CID 166075816) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is ethane;1-methoxypropane;1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Nameethane;1-methoxypropane;1-methylpiperidine-4-carboxamide
PubChem CID166075816
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Nameethane;1-methoxypropane;1-methylpiperidine-4-carboxamide
SMILESCC.CCCOC.CN1CCC(C(N)=O)CC1
InChIInChI=1S/C7H14N2O.C4H10O.C2H6/c1-9-4-2-6(3-5-9)7(8)10;1-3-4-5-2;1-2/h6H,2-5H2,1H3,(H2,8,10);3-4H2,1-2H3;1-2H3
InChIKeyVKBQLVKSCUQPDY-UHFFFAOYSA-N
XLogP1.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxypropane;1-methylpiperidine-4-carboxamide?
The IUPAC name of ethane;1-methoxypropane;1-methylpiperidine-4-carboxamide (CID 166075816) is ethane;1-methoxypropane;1-methylpiperidine-4-carboxamide.
What is the SMILES notation for ethane;1-methoxypropane;1-methylpiperidine-4-carboxamide?
The canonical SMILES for ethane;1-methoxypropane;1-methylpiperidine-4-carboxamide is CC.CCCOC.CN1CCC(C(N)=O)CC1.
What is the InChIKey of ethane;1-methoxypropane;1-methylpiperidine-4-carboxamide?
The InChIKey is VKBQLVKSCUQPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C4H10O.C2H6/c1-9-4-2-6(3-5-9)7(8)10;1-3-4-5-2;1-2/h6H,2-5H2,1H3,(H2,8,10);3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methoxypropane;1-methylpiperidine-4-carboxamide?
ethane;1-methoxypropane;1-methylpiperidine-4-carboxamide has a molecular weight of 246.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxypropane;1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 166075816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).