1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide

C13H19N3O3 — CID 77041818

IUPAC1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1C(=O)CCc1ccco1
InChIInChI=1S/C13H19N3O3/c14-13(15-18)11-5-1-2-8-16(11)12(17)7-6-10-4-3-9-19-10/h3-4,9,11,18H,1-2,5-8H2,(H2,14,15)
InChIKeyACTMALKNJXNTTD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.34
Rot. Bonds4

About 1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide

1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 77041818) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide
PubChem CID77041818
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1C(=O)CCc1ccco1
InChIInChI=1S/C13H19N3O3/c14-13(15-18)11-5-1-2-8-16(11)12(17)7-6-10-4-3-9-19-10/h3-4,9,11,18H,1-2,5-8H2,(H2,14,15)
InChIKeyACTMALKNJXNTTD-UHFFFAOYSA-N
XLogP1.34
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.34
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

1-[2-(bromomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80659467
1-[2-(2-bromoethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80665660
3-(furan-2-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 79030540
tert-butyl (2R)-1-[3-(furan-2-yl)propanoyl]pyrrolidine-2-carboxylate
CID 80998556
(2R,3R)-1-[3-(furan-2-yl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116502
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80676066
2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77012011
1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 25388512
ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate
CID 55446136
1-cyclobutyl-3-(furan-2-yl)propan-1-one
CID 105133720
N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036265
1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-2-carboxylic acid
CID 91644859

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide (CID 77041818) is 1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide is NC(=NO)C1CCCCN1C(=O)CCc1ccco1.
What is the InChIKey of 1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is ACTMALKNJXNTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-13(15-18)11-5-1-2-8-16(11)12(17)7-6-10-4-3-9-19-10/h3-4,9,11,18H,1-2,5-8H2,(H2,14,15).
What are the key properties of 1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide?
1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 265.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 77041818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).