3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide

C16H24N2OS — CID 64536512

IUPAC3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide
SMILESNC(=S)C(CN1CCCCC1CCO)c1ccccc1
InChIInChI=1S/C16H24N2OS/c17-16(20)15(13-6-2-1-3-7-13)12-18-10-5-4-8-14(18)9-11-19/h1-3,6-7,14-15,19H,4-5,8-12H2,(H2,17,20)
InChIKeyNVTVFUBPISQDCK-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.29
Rot. Bonds6

About 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide

3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide (PubChem CID 64536512) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide
PubChem CID64536512
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide
SMILESNC(=S)C(CN1CCCCC1CCO)c1ccccc1
InChIInChI=1S/C16H24N2OS/c17-16(20)15(13-6-2-1-3-7-13)12-18-10-5-4-8-14(18)9-11-19/h1-3,6-7,14-15,19H,4-5,8-12H2,(H2,17,20)
InChIKeyNVTVFUBPISQDCK-UHFFFAOYSA-N
XLogP2.29
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.29
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

methyl 3-[2-(hydroxymethyl)azepan-1-yl]-2-phenylpropanoate
CID 116635216
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-pyridin-3-ylethanol
CID 82216467
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 82215800
2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol
CID 82215107
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194
(2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide
CID 129419077
2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 82215012
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpropanethioamide
CID 64536326
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-phenylpropanethioamide
CID 79166415
3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid
CID 65062535
1-(2-chloro-2-phenylethyl)-2-ethylpiperidine
CID 82214216

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide?
The IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide (CID 64536512) is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide?
The canonical SMILES for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide is NC(=S)C(CN1CCCCC1CCO)c1ccccc1.
What is the InChIKey of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide?
The InChIKey is NVTVFUBPISQDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c17-16(20)15(13-6-2-1-3-7-13)12-18-10-5-4-8-14(18)9-11-19/h1-3,6-7,14-15,19H,4-5,8-12H2,(H2,17,20).
What are the key properties of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide?
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide has a molecular weight of 292.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide is sourced from PubChem (CID 64536512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).