1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea

C15H23N5O5 — CID 5474139

IUPAC1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea
SMILESO=C(NCCO)N/N=C(/CCN1CCCCC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H23N5O5/c21-11-7-16-15(22)18-17-12(6-10-19-8-2-1-3-9-19)13-4-5-14(25-13)20(23)24/h4-5,21H,1-3,6-11H2,(H2,16,18,22)/b17-12-
InChIKeyOZLSBGLUOKDLIF-ATVHPVEESA-N
MW353.38 g/mol
LogP1.06
Rot. Bonds8

About 1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea

1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea (PubChem CID 5474139) has the molecular formula C15H23N5O5 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea
PubChem CID5474139
Molecular FormulaC15H23N5O5
Molecular Weight353.38 g/mol
Exact Mass353.17
IUPAC Name1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea
SMILESO=C(NCCO)N/N=C(/CCN1CCCCC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H23N5O5/c21-11-7-16-15(22)18-17-12(6-10-19-8-2-1-3-9-19)13-4-5-14(25-13)20(23)24/h4-5,21H,1-3,6-11H2,(H2,16,18,22)/b17-12-
InChIKeyOZLSBGLUOKDLIF-ATVHPVEESA-N
XLogP1.06
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea
CID 6536920
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride
CID 119445931
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide
CID 94119592
N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide
CID 103919565
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide
CID 34999671
1-(5-nitrofuran-2-carbonyl)azepan-2-one
CID 18916082
5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide
CID 112759087
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-[4-[3-(2,2,2-trifluoroacetyl)-1,3-diazinan-1-yl]butyl]urea
CID 177448307
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5-nitrofuran-2-carboxamide
CID 94116270
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
1-(3-nitrophenyl)-3-(3-piperidin-1-ylpropyl)urea
CID 24626894

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea (CID 5474139) is 1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea is O=C(NCCO)N/N=C(/CCN1CCCCC1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea?
The InChIKey is OZLSBGLUOKDLIF-ATVHPVEESA-N. The full InChI is InChI=1S/C15H23N5O5/c21-11-7-16-15(22)18-17-12(6-10-19-8-2-1-3-9-19)13-4-5-14(25-13)20(23)24/h4-5,21H,1-3,6-11H2,(H2,16,18,22)/b17-12-.
What are the key properties of 1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea?
1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea has a molecular weight of 353.38 g/mol, XLogP of 1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(Z)-[1-(5-nitrofuran-2-yl)-3-piperidin-1-ylpropylidene]amino]urea is sourced from PubChem (CID 5474139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).