1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide

C15H21FN2O2S — CID 2809875

IUPAC1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(O)CSc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2S/c16-12-1-3-14(4-2-12)21-10-13(19)9-18-7-5-11(6-8-18)15(17)20/h1-4,11,13,19H,5-10H2,(H2,17,20)
InChIKeyYJKCYBDVRKQPRD-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.48
Rot. Bonds6

About 1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide

1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide (PubChem CID 2809875) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide
PubChem CID2809875
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(O)CSc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2S/c16-12-1-3-14(4-2-12)21-10-13(19)9-18-7-5-11(6-8-18)15(17)20/h1-4,11,13,19H,5-10H2,(H2,17,20)
InChIKeyYJKCYBDVRKQPRD-UHFFFAOYSA-N
XLogP1.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-Hydroxy-3-(phenylthio)propyl]piperidine-4-carboxamide
CID 2809815
1-(3-Phenylsulfanyl-propionyl)-piperidine-4-carboxylic acid amide
CID 769769
2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide
CID 45558648
1-[2-(2-Fluorophenyl)sulfanylethyl]piperidine-4-carboxamide
CID 9442986
1-(2-Phenylsulfanylethyl)piperidine-4-carboxamide
CID 56790465
4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide
CID 118353372
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide (CID 2809875) is 1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(O)CSc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide?
The InChIKey is YJKCYBDVRKQPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c16-12-1-3-14(4-2-12)21-10-13(19)9-18-7-5-11(6-8-18)15(17)20/h1-4,11,13,19H,5-10H2,(H2,17,20).
What are the key properties of 1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide?
1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide is sourced from PubChem (CID 2809875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).