N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide

C14H18N4O2S — CID 94176772

IUPACN-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C14H18N4O2S/c1-10(19)15-12-3-2-5-18(7-12)8-13-16-14(17-20-13)11-4-6-21-9-11/h4,6,9,12H,2-3,5,7-8H2,1H3,(H,15,19)/t12-/m0/s1
InChIKeyTZIOXVLEBYAUPF-LBPRGKRZSA-N
MW306.39 g/mol
LogP1.90
Rot. Bonds4

About N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide

N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide (PubChem CID 94176772) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide
PubChem CID94176772
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C14H18N4O2S/c1-10(19)15-12-3-2-5-18(7-12)8-13-16-14(17-20-13)11-4-6-21-9-11/h4,6,9,12H,2-3,5,7-8H2,1H3,(H,15,19)/t12-/m0/s1
InChIKeyTZIOXVLEBYAUPF-LBPRGKRZSA-N
XLogP1.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide with MolForge

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Related Compounds

N-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]acetamide
CID 87014515
methyl 4-[5-[(3-acetamidopyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 56905703
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923233
1-[(2R)-2-[(2S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95319673
(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933666
N-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 60500576
5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 104975556
1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630225
N,N-dimethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 71943818
3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072199
N-cyclopentyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9078298
methyl (2R)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylate
CID 79835245

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide (CID 94176772) is N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1.
What is the InChIKey of N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide?
The InChIKey is TZIOXVLEBYAUPF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10(19)15-12-3-2-5-18(7-12)8-13-16-14(17-20-13)11-4-6-21-9-11/h4,6,9,12H,2-3,5,7-8H2,1H3,(H,15,19)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 94176772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).