4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid

C18H23NO4S — CID 119251216

IUPAC4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1
InChIInChI=1S/C18H23NO4S/c20-15(19-12-10-17(23,11-13-19)16(21)22)18(8-4-5-9-18)24-14-6-2-1-3-7-14/h1-3,6-7,23H,4-5,8-13H2,(H,21,22)
InChIKeyHHBPTNYCIQWEOT-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.53
Rot. Bonds4

About 4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid

4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid (PubChem CID 119251216) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid
PubChem CID119251216
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1
InChIInChI=1S/C18H23NO4S/c20-15(19-12-10-17(23,11-13-19)16(21)22)18(8-4-5-9-18)24-14-6-2-1-3-7-14/h1-3,6-7,23H,4-5,8-13H2,(H,21,22)
InChIKeyHHBPTNYCIQWEOT-UHFFFAOYSA-N
XLogP2.53
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid 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

[(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
CID 119411352
[3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
CID 119490722
1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251972
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251424
2-phenylsulfanylspiro[3.5]nonane-2-carboxylic acid
CID 65142377
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 95543173
1-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251462
1-[4-(3-chlorophenyl)oxane-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119252081
4-hydroxy-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251534
1-phenylsulfanylcyclopent-3-ene-1-carboxylic acid
CID 65353087
1-(4-bromophenyl)sulfanylcyclopentane-1-carboxylic acid
CID 61344749
1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid
CID 61343846

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid (CID 119251216) is 4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid is O=C(O)C1(O)CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1.
What is the InChIKey of 4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid?
The InChIKey is HHBPTNYCIQWEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c20-15(19-12-10-17(23,11-13-19)16(21)22)18(8-4-5-9-18)24-14-6-2-1-3-7-14/h1-3,6-7,23H,4-5,8-13H2,(H,21,22).
What are the key properties of 4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid has a molecular weight of 349.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1-phenylsulfanylcyclopentanecarbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119251216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).