2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide

C15H28N2O2S — CID 81115738

IUPAC2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide
SMILESCCCC(CCC)(C(=O)N1CCC(C)(O)CC1)C(N)=S
InChIInChI=1S/C15H28N2O2S/c1-4-6-15(7-5-2,12(16)20)13(18)17-10-8-14(3,19)9-11-17/h19H,4-11H2,1-3H3,(H2,16,20)
InChIKeyICVIDJAYHVFORP-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.23
Rot. Bonds6

About 2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide

2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide (PubChem CID 81115738) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide
PubChem CID81115738
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide
SMILESCCCC(CCC)(C(=O)N1CCC(C)(O)CC1)C(N)=S
InChIInChI=1S/C15H28N2O2S/c1-4-6-15(7-5-2,12(16)20)13(18)17-10-8-14(3,19)9-11-17/h19H,4-11H2,1-3H3,(H2,16,20)
InChIKeyICVIDJAYHVFORP-UHFFFAOYSA-N
XLogP2.23
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide
CID 63217370
2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 81103514
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-propylpentanethioamide
CID 115559919
2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide
CID 63513942
3-(4-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanethioamide
CID 81115930
2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 126972962
2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide
CID 62331429
2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile
CID 81103796
2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 81103870
2-ethyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]butanethioamide
CID 62775517
2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
CID 107404378
2,2,2-trifluoro-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406145

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide?
The IUPAC name of 2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide (CID 81115738) is 2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide.
What is the SMILES notation for 2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide?
The canonical SMILES for 2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide is CCCC(CCC)(C(=O)N1CCC(C)(O)CC1)C(N)=S.
What is the InChIKey of 2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide?
The InChIKey is ICVIDJAYHVFORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-4-6-15(7-5-2,12(16)20)13(18)17-10-8-14(3,19)9-11-17/h19H,4-11H2,1-3H3,(H2,16,20).
What are the key properties of 2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide?
2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide has a molecular weight of 300.47 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide is sourced from PubChem (CID 81115738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).