N-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide

C20H22N4O3S — CID 171913748

IUPACN-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESCc1nc(N2CC[C@](NC(=O)Cc3cccs3)(c3ccccc3)[C@H](O)C2)no1
InChIInChI=1S/C20H22N4O3S/c1-14-21-19(23-27-14)24-10-9-20(17(25)13-24,15-6-3-2-4-7-15)22-18(26)12-16-8-5-11-28-16/h2-8,11,17,25H,9-10,12-13H2,1H3,(H,22,26)/t17-,20+/m1/s1
InChIKeyKSKSGCSZUSVCOK-XLIONFOSSA-N
MW398.49 g/mol
LogP2.26
Rot. Bonds5

About N-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide

N-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 171913748) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide
PubChem CID171913748
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESCc1nc(N2CC[C@](NC(=O)Cc3cccs3)(c3ccccc3)[C@H](O)C2)no1
InChIInChI=1S/C20H22N4O3S/c1-14-21-19(23-27-14)24-10-9-20(17(25)13-24,15-6-3-2-4-7-15)22-18(26)12-16-8-5-11-28-16/h2-8,11,17,25H,9-10,12-13H2,1H3,(H,22,26)/t17-,20+/m1/s1
InChIKeyKSKSGCSZUSVCOK-XLIONFOSSA-N
XLogP2.26
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4S,5R)-5-hydroxy-4-methyl-9-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 166616434
N-[(3R,4S)-3-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-2-pyridin-4-ylacetamide
CID 171908154
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628442
N-[(1R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]-2-thiophen-2-ylacetamide
CID 131644799
methyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate
CID 166622284
1-[(4R)-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-thiophen-2-ylethanone
CID 129339996
1-[(4S)-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-thiophen-2-ylethanone
CID 129339995
formic acid;3-hydroxy-N-[(3R,4S)-3-hydroxy-1-(2-naphthalen-1-ylethyl)-4-phenylpiperidin-4-yl]propanamide
CID 172896622
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-thiophen-2-ylacetamide
CID 86772548
(1S,8R,9R)-11-(5-methyl-1,2,4-oxadiazol-3-yl)-6-oxo-N-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-8-carboxamide
CID 171992191
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-thiophen-2-ylacetamide
CID 9293561

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide (CID 171913748) is N-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide is Cc1nc(N2CC[C@](NC(=O)Cc3cccs3)(c3ccccc3)[C@H](O)C2)no1.
What is the InChIKey of N-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is KSKSGCSZUSVCOK-XLIONFOSSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-21-19(23-27-14)24-10-9-20(17(25)13-24,15-6-3-2-4-7-15)22-18(26)12-16-8-5-11-28-16/h2-8,11,17,25H,9-10,12-13H2,1H3,(H,22,26)/t17-,20+/m1/s1.
What are the key properties of N-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide?
N-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 398.49 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 171913748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).