N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide

C12H17N3O2S — CID 77041855

IUPACN'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C12H17N3O2S/c13-12(14-17)10-2-1-4-15(7-10)11(16)6-9-3-5-18-8-9/h3,5,8,10,17H,1-2,4,6-7H2,(H2,13,14)
InChIKeyDSLQWRHUDWZXCA-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.28
Rot. Bonds3

About N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide

N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide (PubChem CID 77041855) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide
PubChem CID77041855
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C12H17N3O2S/c13-12(14-17)10-2-1-4-15(7-10)11(16)6-9-3-5-18-8-9/h3,5,8,10,17H,1-2,4,6-7H2,(H2,13,14)
InChIKeyDSLQWRHUDWZXCA-UHFFFAOYSA-N
XLogP1.28
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide
CID 77041744
1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 29181741
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 70736283
1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 61205444
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
1-[3-(4-chlorophenyl)azepan-1-yl]-2-thiophen-3-ylethanone
CID 121146683
1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 70788695
1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154068
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 94407469

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide (CID 77041855) is N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide is NC(=NO)C1CCCN(C(=O)Cc2ccsc2)C1.
What is the InChIKey of N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide?
The InChIKey is DSLQWRHUDWZXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-12(14-17)10-2-1-4-15(7-10)11(16)6-9-3-5-18-8-9/h3,5,8,10,17H,1-2,4,6-7H2,(H2,13,14).
What are the key properties of N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide?
N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide has a molecular weight of 267.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide is sourced from PubChem (CID 77041855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).