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

C12H18N4O3 — CID 77002384

IUPACN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide
SMILESNC(CN1CCC(NC(=O)c2ccco2)CC1)=NO
InChIInChI=1S/C12H18N4O3/c13-11(15-18)8-16-5-3-9(4-6-16)14-12(17)10-2-1-7-19-10/h1-2,7,9,18H,3-6,8H2,(H2,13,15)(H,14,17)
InChIKeyXXZXQHGKDOMHEA-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.22
Rot. Bonds4

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

N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 77002384) 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-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID77002384
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide
SMILESNC(CN1CCC(NC(=O)c2ccco2)CC1)=NO
InChIInChI=1S/C12H18N4O3/c13-11(15-18)8-16-5-3-9(4-6-16)14-12(17)10-2-1-7-19-10/h1-2,7,9,18H,3-6,8H2,(H2,13,15)(H,14,17)
InChIKeyXXZXQHGKDOMHEA-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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Related Compounds

N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 77002400
N-[1-[(2E)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-chlorothiophene-2-carboxamide
CID 80641295
prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 108559625
N-(4-bromocyclohexyl)furan-2-carboxamide
CID 114309141
N-cyclooctylfuran-2-carboxamide
CID 790432
benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 110821844
N-[1-[(2E)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-2,5-dibromothiophene-3-carboxamide
CID 107965206
N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide
CID 43556804
N-(1-ethylazetidin-3-yl)furan-2-carboxamide
CID 130639837
1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea
CID 55250006
ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate
CID 100613530
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide
CID 75537873

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide (CID 77002384) is N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide is NC(CN1CCC(NC(=O)c2ccco2)CC1)=NO.
What is the InChIKey of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is XXZXQHGKDOMHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-11(15-18)8-16-5-3-9(4-6-16)14-12(17)10-2-1-7-19-10/h1-2,7,9,18H,3-6,8H2,(H2,13,15)(H,14,17).
What are the key properties of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide?
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-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-2-carboxamide is sourced from PubChem (CID 77002384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).