3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide

C15H22N2OS — CID 102958108

IUPAC3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide
SMILESCOC1CCCN(C(CC(N)=S)c2ccccc2)C1
InChIInChI=1S/C15H22N2OS/c1-18-13-8-5-9-17(11-13)14(10-15(16)19)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H2,16,19)
InChIKeyYAKKIJAZTYJFLQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.51
Rot. Bonds5

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

3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide (PubChem CID 102958108) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide.

Molecular Properties

Compound Name3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide
PubChem CID102958108
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide
SMILESCOC1CCCN(C(CC(N)=S)c2ccccc2)C1
InChIInChI=1S/C15H22N2OS/c1-18-13-8-5-9-17(11-13)14(10-15(16)19)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H2,16,19)
InChIKeyYAKKIJAZTYJFLQ-UHFFFAOYSA-N
XLogP2.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.51
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-ethoxypiperidin-1-yl)-3-phenylpropanethioamide
CID 62780124
3-(azepan-1-yl)-3-phenylpropanethioamide
CID 62779278
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-phenylpropanethioamide
CID 112625605
3-(4-methyl-1,4-diazepan-1-yl)-3-phenylpropanethioamide
CID 62778289
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-phenylpropanethioamide
CID 114797720
4-[1-(3-methoxypiperidin-1-yl)propyl]phenol
CID 102969248
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide
CID 62779115
2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol
CID 102966104
1-(2-amino-1-phenylethyl)piperidine-3-carboxamide
CID 55017302
2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine
CID 102965278
3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide
CID 62780437

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide?
The IUPAC name of 3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide (CID 102958108) is 3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide.
What is the SMILES notation for 3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide?
The canonical SMILES for 3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide is COC1CCCN(C(CC(N)=S)c2ccccc2)C1.
What is the InChIKey of 3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide?
The InChIKey is YAKKIJAZTYJFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-18-13-8-5-9-17(11-13)14(10-15(16)19)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H2,16,19).
What are the key properties of 3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide?
3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide has a molecular weight of 278.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide is sourced from PubChem (CID 102958108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).