(2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one

C18H21NO2S — CID 95984069

IUPAC(2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
SMILESC[C@H](Oc1ccccc1)C(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C18H21NO2S/c1-14(21-17-5-3-2-4-6-17)18(20)19-10-7-15(8-11-19)16-9-12-22-13-16/h2-6,9,12-15H,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyADIGZCKKPFDAJH-AWEZNQCLSA-N
MW315.44 g/mol
LogP3.92
Rot. Bonds4

About (2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one

(2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one (PubChem CID 95984069) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
PubChem CID95984069
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
SMILESC[C@H](Oc1ccccc1)C(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C18H21NO2S/c1-14(21-17-5-3-2-4-6-17)18(20)19-10-7-15(8-11-19)16-9-12-22-13-16/h2-6,9,12-15H,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyADIGZCKKPFDAJH-AWEZNQCLSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
(2S)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 94596120
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 75479278
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628861
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119376748

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one (CID 95984069) is (2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one is C[C@H](Oc1ccccc1)C(=O)N1CCC(c2ccsc2)CC1.
What is the InChIKey of (2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
The InChIKey is ADIGZCKKPFDAJH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14(21-17-5-3-2-4-6-17)18(20)19-10-7-15(8-11-19)16-9-12-22-13-16/h2-6,9,12-15H,7-8,10-11H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one?
(2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one has a molecular weight of 315.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 95984069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).