2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide

C18H26N2O2S — CID 75503734

IUPAC2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide
SMILESCN(C(=O)C(c1ccccc1)N1CCC(O)CC1)C1CCSC1
InChIInChI=1S/C18H26N2O2S/c1-19(15-9-12-23-13-15)18(22)17(14-5-3-2-4-6-14)20-10-7-16(21)8-11-20/h2-6,15-17,21H,7-13H2,1H3
InChIKeySUHFRQOHXRWEQO-UHFFFAOYSA-N
MW334.48 g/mol
LogP2.15
Rot. Bonds4

About 2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide

2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide (PubChem CID 75503734) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide
PubChem CID75503734
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide
SMILESCN(C(=O)C(c1ccccc1)N1CCC(O)CC1)C1CCSC1
InChIInChI=1S/C18H26N2O2S/c1-19(15-9-12-23-13-15)18(22)17(14-5-3-2-4-6-14)20-10-7-16(21)8-11-20/h2-6,15-17,21H,7-13H2,1H3
InChIKeySUHFRQOHXRWEQO-UHFFFAOYSA-N
XLogP2.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one
CID 143630259
2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 43296386
2-[methyl(thiolan-3-yl)amino]-2-phenylacetic acid
CID 43296865
3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide
CID 43296719
(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 30740688
1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one
CID 70896720
2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 110891598
2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-methyl-2-phenyl-N-(thian-4-yl)acetamide
CID 70711996
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylbutan-2-one
CID 163432862
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
(2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95293657

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide (CID 75503734) is 2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide is CN(C(=O)C(c1ccccc1)N1CCC(O)CC1)C1CCSC1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide?
The InChIKey is SUHFRQOHXRWEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-19(15-9-12-23-13-15)18(22)17(14-5-3-2-4-6-14)20-10-7-16(21)8-11-20/h2-6,15-17,21H,7-13H2,1H3.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide?
2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide has a molecular weight of 334.48 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-methyl-2-phenyl-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 75503734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).