1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide

C15H22N2O2S — CID 2809815

IUPAC1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(O)CSc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2S/c16-15(19)12-6-8-17(9-7-12)10-13(18)11-20-14-4-2-1-3-5-14/h1-5,12-13,18H,6-11H2,(H2,16,19)
InChIKeyYSMQPPNUHYMINC-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.34
Rot. Bonds6

About 1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide

1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide (PubChem CID 2809815) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide
PubChem CID2809815
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(O)CSc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2S/c16-15(19)12-6-8-17(9-7-12)10-13(18)11-20-14-4-2-1-3-5-14/h1-5,12-13,18H,6-11H2,(H2,16,19)
InChIKeyYSMQPPNUHYMINC-UHFFFAOYSA-N
XLogP1.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-Fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide
CID 2809875
1-(3-Phenylsulfanyl-propionyl)-piperidine-4-carboxylic acid amide
CID 769769
1-[2-(Benzenesulfonyl)ethyl]piperidine-4-carboxamide
CID 2821924
1-[2-(2-Fluorophenyl)sulfanylethyl]piperidine-4-carboxamide
CID 9442986
1-(2-Phenylsulfanylethyl)piperidine-4-carboxamide
CID 56790465
1-[(2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidin-1-ium-4-carboxamide
CID 6926918
1-[(2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide
CID 6926919
1-[(2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidin-1-ium-4-carboxamide
CID 6926920
1-[(2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide
CID 6926921
1-[2-(2-Fluorophenyl)sulfanylethyl]piperidin-1-ium-4-carboxamide
CID 9442985
1-[2-(4-Fluorophenyl)sulfanylethyl]piperidin-1-ium-4-carboxamide
CID 9442989
1-[2-(4-Fluorophenyl)sulfanylethyl]piperidine-4-carboxamide
CID 9442990

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide (CID 2809815) is 1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide is NC(=O)C1CCN(CC(O)CSc2ccccc2)CC1.
What is the InChIKey of 1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide?
The InChIKey is YSMQPPNUHYMINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c16-15(19)12-6-8-17(9-7-12)10-13(18)11-20-14-4-2-1-3-5-14/h1-5,12-13,18H,6-11H2,(H2,16,19).
What are the key properties of 1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide?
1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-phenylsulfanylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 2809815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).