(4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone

C10H12N2O2S — CID 24699677

IUPAC(4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(=NO)CC1
InChIInChI=1S/C10H12N2O2S/c13-10(8-3-6-15-7-8)12-4-1-9(11-14)2-5-12/h3,6-7,14H,1-2,4-5H2
InChIKeyPPOBDMGVNUHOSS-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.81
Rot. Bonds1

About (4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone

(4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone (PubChem CID 24699677) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is (4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone
PubChem CID24699677
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name(4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(=NO)CC1
InChIInChI=1S/C10H12N2O2S/c13-10(8-3-6-15-7-8)12-4-1-9(11-14)2-5-12/h3,6-7,14H,1-2,4-5H2
InChIKeyPPOBDMGVNUHOSS-UHFFFAOYSA-N
XLogP1.81
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 24705312
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
CID 54873741
2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 103514904
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
(4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 24707311
1-methyl-7-(thiophene-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466779
9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131680253
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349
4-oxo-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]butanoic acid
CID 60948619
7-(thiophene-3-carbonyl)-5,6,8,9-tetrahydro-2H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
CID 91922352

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone?
The IUPAC name of (4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone (CID 24699677) is (4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC(=NO)CC1.
What is the InChIKey of (4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone?
The InChIKey is PPOBDMGVNUHOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c13-10(8-3-6-15-7-8)12-4-1-9(11-14)2-5-12/h3,6-7,14H,1-2,4-5H2.
What are the key properties of (4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone?
(4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone has a molecular weight of 224.28 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 24699677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).