6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide

C14H19N3O2S — CID 63748489

IUPAC6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
SMILESCCOC1CCCN(C(=O)c2ccc(C(N)=S)cn2)C1
InChIInChI=1S/C14H19N3O2S/c1-2-19-11-4-3-7-17(9-11)14(18)12-6-5-10(8-16-12)13(15)20/h5-6,8,11H,2-4,7,9H2,1H3,(H2,15,20)
InChIKeyDUPYWTOBXRZKKM-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.36
Rot. Bonds4

About 6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide

6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide (PubChem CID 63748489) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
PubChem CID63748489
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
SMILESCCOC1CCCN(C(=O)c2ccc(C(N)=S)cn2)C1
InChIInChI=1S/C14H19N3O2S/c1-2-19-11-4-3-7-17(9-11)14(18)12-6-5-10(8-16-12)13(15)20/h5-6,8,11H,2-4,7,9H2,1H3,(H2,15,20)
InChIKeyDUPYWTOBXRZKKM-UHFFFAOYSA-N
XLogP1.36
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748316
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone
CID 62954015
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
6-[3-(ethoxymethyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 119129886
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide
CID 79181657
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369
6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide
CID 63980352
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375356
[(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone
CID 95303037
[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 95583611
[1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone
CID 107497963

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide?
The IUPAC name of 6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide (CID 63748489) is 6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide?
The canonical SMILES for 6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide is CCOC1CCCN(C(=O)c2ccc(C(N)=S)cn2)C1.
What is the InChIKey of 6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide?
The InChIKey is DUPYWTOBXRZKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-19-11-4-3-7-17(9-11)14(18)12-6-5-10(8-16-12)13(15)20/h5-6,8,11H,2-4,7,9H2,1H3,(H2,15,20).
What are the key properties of 6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide?
6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide has a molecular weight of 293.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide is sourced from PubChem (CID 63748489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).