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

C15H21N3O2S — CID 63748316

IUPAC6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
SMILESCCCOC1CCCN(C(=O)c2ccc(C(N)=S)cn2)C1
InChIInChI=1S/C15H21N3O2S/c1-2-8-20-12-4-3-7-18(10-12)15(19)13-6-5-11(9-17-13)14(16)21/h5-6,9,12H,2-4,7-8,10H2,1H3,(H2,16,21)
InChIKeyFICUOZKKZGVDSM-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.75
Rot. Bonds5

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

6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide (PubChem CID 63748316) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
PubChem CID63748316
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
SMILESCCCOC1CCCN(C(=O)c2ccc(C(N)=S)cn2)C1
InChIInChI=1S/C15H21N3O2S/c1-2-8-20-12-4-3-7-18(10-12)15(19)13-6-5-11(9-17-13)14(16)21/h5-6,9,12H,2-4,7-8,10H2,1H3,(H2,16,21)
InChIKeyFICUOZKKZGVDSM-UHFFFAOYSA-N
XLogP1.75
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.75
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-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748489
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 99983565
(3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110090712
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide
CID 79181657
(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 62233136
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide
CID 63980352

Frequently Asked Questions

What is the IUPAC name of 6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide?
The IUPAC name of 6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide (CID 63748316) is 6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide?
The canonical SMILES for 6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide is CCCOC1CCCN(C(=O)c2ccc(C(N)=S)cn2)C1.
What is the InChIKey of 6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide?
The InChIKey is FICUOZKKZGVDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-8-20-12-4-3-7-18(10-12)15(19)13-6-5-11(9-17-13)14(16)21/h5-6,9,12H,2-4,7-8,10H2,1H3,(H2,16,21).
What are the key properties of 6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide?
6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide has a molecular weight of 307.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide is sourced from PubChem (CID 63748316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).