3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide

C16H24N2OS — CID 62780124

IUPAC3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide
SMILESCCOC1CCCN(C(CC(N)=S)c2ccccc2)C1
InChIInChI=1S/C16H24N2OS/c1-2-19-14-9-6-10-18(12-14)15(11-16(17)20)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H2,17,20)
InChIKeyKMYCCOOXMLQHFY-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.90
Rot. Bonds6

About 3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide

3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide (PubChem CID 62780124) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide.

Molecular Properties

Compound Name3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide
PubChem CID62780124
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide
SMILESCCOC1CCCN(C(CC(N)=S)c2ccccc2)C1
InChIInChI=1S/C16H24N2OS/c1-2-19-14-9-6-10-18(12-14)15(11-16(17)20)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H2,17,20)
InChIKeyKMYCCOOXMLQHFY-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide
CID 102958108
2-(3-ethoxypiperidin-1-yl)-2-phenylacetamide
CID 47411464
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-phenylpropanethioamide
CID 112625605
3-(azepan-1-yl)-3-phenylpropanethioamide
CID 62779278
2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 54985342
2-(3-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 54985150
3-(4-methyl-1,4-diazepan-1-yl)-3-phenylpropanethioamide
CID 62778289
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-phenylpropanethioamide
CID 114797720
(2S)-2-phenyl-2-[(3R)-3-propoxypiperidin-1-yl]acetamide
CID 94215510
2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine
CID 54985578
3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide
CID 62779115
4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine
CID 63322069

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide?
The IUPAC name of 3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide (CID 62780124) is 3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide.
What is the SMILES notation for 3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide?
The canonical SMILES for 3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide is CCOC1CCCN(C(CC(N)=S)c2ccccc2)C1.
What is the InChIKey of 3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide?
The InChIKey is KMYCCOOXMLQHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-19-14-9-6-10-18(12-14)15(11-16(17)20)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H2,17,20).
What are the key properties of 3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide?
3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide has a molecular weight of 292.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide is sourced from PubChem (CID 62780124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).