ethane;1-methylpiperidine-2-carboxamide

C9H20N2O — CID 143592848

IUPACethane;1-methylpiperidine-2-carboxamide
SMILESCC.CN1CCCCC1C(N)=O
InChIInChI=1S/C7H14N2O.C2H6/c1-9-5-3-2-4-6(9)7(8)10;1-2/h6H,2-5H2,1H3,(H2,8,10);1-2H3
InChIKeyUUPCRHVYGKTQTG-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.98
Rot. Bonds1

About ethane;1-methylpiperidine-2-carboxamide

ethane;1-methylpiperidine-2-carboxamide (PubChem CID 143592848) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Nameethane;1-methylpiperidine-2-carboxamide
PubChem CID143592848
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameethane;1-methylpiperidine-2-carboxamide
SMILESCC.CN1CCCCC1C(N)=O
InChIInChI=1S/C7H14N2O.C2H6/c1-9-5-3-2-4-6(9)7(8)10;1-2/h6H,2-5H2,1H3,(H2,8,10);1-2H3
InChIKeyUUPCRHVYGKTQTG-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpiperidine-2-carboxamide?
The IUPAC name of ethane;1-methylpiperidine-2-carboxamide (CID 143592848) is ethane;1-methylpiperidine-2-carboxamide.
What is the SMILES notation for ethane;1-methylpiperidine-2-carboxamide?
The canonical SMILES for ethane;1-methylpiperidine-2-carboxamide is CC.CN1CCCCC1C(N)=O.
What is the InChIKey of ethane;1-methylpiperidine-2-carboxamide?
The InChIKey is UUPCRHVYGKTQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c1-9-5-3-2-4-6(9)7(8)10;1-2/h6H,2-5H2,1H3,(H2,8,10);1-2H3.
What are the key properties of ethane;1-methylpiperidine-2-carboxamide?
ethane;1-methylpiperidine-2-carboxamide has a molecular weight of 172.27 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 143592848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).