(4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one

C13H15N3O2 — CID 135493938

IUPAC(4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one
SMILESO=C1NC(N2CCCCC2)=N/C1=C\c1ccco1
InChIInChI=1S/C13H15N3O2/c17-12-11(9-10-5-4-8-18-10)14-13(15-12)16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2,(H,14,15,17)/b11-9-
InChIKeyWIEFYYYEPSSZHM-LUAWRHEFSA-N
MW245.28 g/mol
LogP1.59
Rot. Bonds1

About (4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one

(4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one (PubChem CID 135493938) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one
PubChem CID135493938
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one
SMILESO=C1NC(N2CCCCC2)=N/C1=C\c1ccco1
InChIInChI=1S/C13H15N3O2/c17-12-11(9-10-5-4-8-18-10)14-13(15-12)16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2,(H,14,15,17)/b11-9-
InChIKeyWIEFYYYEPSSZHM-LUAWRHEFSA-N
XLogP1.59
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(furan-2-ylmethylimino)-5,7-dihydro-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 136055858
(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide
CID 2563667
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide
CID 2526371
2-Amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 137086378
2-(2-amino-4-ethyl-6-oxo-1,6-dihydropyrimidin-1-yl)-N-[(furan-2-yl)methyl]acetamide
CID 49667303
4-(2-Furyl)-6-oxo-2-(1-piperidinyl)-1,6-dihydro-5-pyrimidinecarbonitrile
CID 135448846
(4Z)-4-(furan-2-ylmethylidene)-2-methyl-1H-imidazol-5-one
CID 136265735
5-(2-Furylmethylene)-3-(4-morpholinylmethyl)-2-thioxo-4-imidazolidinone
CID 5469472
5-(2-Furylmethylene)-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone
CID 5469477
(5Z)-5-(2-furylmethylene)-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one
CID 5469484
(5Z)-5-(2-furylmethylene)-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one
CID 5469490
(2Z)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione
CID 5935694

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one (CID 135493938) is (4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one is O=C1NC(N2CCCCC2)=N/C1=C\c1ccco1.
What is the InChIKey of (4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one?
The InChIKey is WIEFYYYEPSSZHM-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12-11(9-10-5-4-8-18-10)14-13(15-12)16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2,(H,14,15,17)/b11-9-.
What are the key properties of (4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one?
(4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one has a molecular weight of 245.28 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(furan-2-ylmethylidene)-2-piperidin-1-yl-1H-imidazol-5-one is sourced from PubChem (CID 135493938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).