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

C12H18N4O3 — CID 77002490

IUPACN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-3-carboxamide
SMILESNC(CN1CCC(NC(=O)c2ccoc2)CC1)=NO
InChIInChI=1S/C12H18N4O3/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)
InChIKeyVVFWOTNBLFOJFT-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.22
Rot. Bonds4

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

N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-3-carboxamide (PubChem CID 77002490) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-3-carboxamide
PubChem CID77002490
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-3-carboxamide
SMILESNC(CN1CCC(NC(=O)c2ccoc2)CC1)=NO
InChIInChI=1S/C12H18N4O3/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)
InChIKeyVVFWOTNBLFOJFT-UHFFFAOYSA-N
XLogP0.22
TPSA104.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.22
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-3-carboxamide (CID 77002490) is N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-3-carboxamide is NC(CN1CCC(NC(=O)c2ccoc2)CC1)=NO.
What is the InChIKey of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-3-carboxamide?
The InChIKey is VVFWOTNBLFOJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/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]furan-3-carboxamide?
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.22, 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]furan-3-carboxamide is sourced from PubChem (CID 77002490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).