N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide

C12H18N4O2S — CID 77002400

IUPACN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESNC(CN1CCC(NC(=O)c2ccsc2)CC1)=NO
InChIInChI=1S/C12H18N4O2S/c13-11(15-18)7-16-4-1-10(2-5-16)14-12(17)9-3-6-19-8-9/h3,6,8,10,18H,1-2,4-5,7H2,(H2,13,15)(H,14,17)
InChIKeyZCYZVKHDBMCWNO-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.69
Rot. Bonds4

About N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide

N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 77002400) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID77002400
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESNC(CN1CCC(NC(=O)c2ccsc2)CC1)=NO
InChIInChI=1S/C12H18N4O2S/c13-11(15-18)7-16-4-1-10(2-5-16)14-12(17)9-3-6-19-8-9/h3,6,8,10,18H,1-2,4-5,7H2,(H2,13,15)(H,14,17)
InChIKeyZCYZVKHDBMCWNO-UHFFFAOYSA-N
XLogP0.69
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-[1-[(2E)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-chlorothiophene-2-carboxamide
CID 80641295
N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 110931733
N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550268
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide
CID 77002384
N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 111106047
N-[1-[(2E)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-2,5-dibromothiophene-3-carboxamide
CID 107965206
N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 111439582
N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550206
N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 86842848
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119305242
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide
CID 77002434
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752077

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide (CID 77002400) is N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide is NC(CN1CCC(NC(=O)c2ccsc2)CC1)=NO.
What is the InChIKey of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is ZCYZVKHDBMCWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c13-11(15-18)7-16-4-1-10(2-5-16)14-12(17)9-3-6-19-8-9/h3,6,8,10,18H,1-2,4-5,7H2,(H2,13,15)(H,14,17).
What are the key properties of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide?
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 77002400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).