1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide

C13H27N3OS — CID 114284269

IUPAC1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide
SMILESCCN(CC)CCN1CCC(OC)(C(N)=S)CC1
InChIInChI=1S/C13H27N3OS/c1-4-15(5-2)10-11-16-8-6-13(17-3,7-9-16)12(14)18/h4-11H2,1-3H3,(H2,14,18)
InChIKeyLYFUVAPSXGWNSA-UHFFFAOYSA-N
MW273.45 g/mol
LogP1.10
Rot. Bonds7

About 1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide

1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide (PubChem CID 114284269) has the molecular formula C13H27N3OS and a molecular weight of 273.45 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide
PubChem CID114284269
Molecular FormulaC13H27N3OS
Molecular Weight273.45 g/mol
Exact Mass273.19
IUPAC Name1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide
SMILESCCN(CC)CCN1CCC(OC)(C(N)=S)CC1
InChIInChI=1S/C13H27N3OS/c1-4-15(5-2)10-11-16-8-6-13(17-3,7-9-16)12(14)18/h4-11H2,1-3H3,(H2,14,18)
InChIKeyLYFUVAPSXGWNSA-UHFFFAOYSA-N
XLogP1.10
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide?
The IUPAC name of 1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide (CID 114284269) is 1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide is CCN(CC)CCN1CCC(OC)(C(N)=S)CC1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide?
The InChIKey is LYFUVAPSXGWNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3OS/c1-4-15(5-2)10-11-16-8-6-13(17-3,7-9-16)12(14)18/h4-11H2,1-3H3,(H2,14,18).
What are the key properties of 1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide?
1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide has a molecular weight of 273.45 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-4-methoxypiperidine-4-carbothioamide is sourced from PubChem (CID 114284269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).