1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea

C14H20N4O3 — CID 63628892

IUPAC1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea
SMILESO=C(NCCC1CCCNC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O3/c19-14(16-8-6-11-3-2-7-15-10-11)17-12-4-1-5-13(9-12)18(20)21/h1,4-5,9,11,15H,2-3,6-8,10H2,(H2,16,17,19)
InChIKeyQOQBHJSCNKPPSL-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.11
Rot. Bonds5

About 1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea

1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea (PubChem CID 63628892) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea
PubChem CID63628892
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea
SMILESO=C(NCCC1CCCNC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O3/c19-14(16-8-6-11-3-2-7-15-10-11)17-12-4-1-5-13(9-12)18(20)21/h1,4-5,9,11,15H,2-3,6-8,10H2,(H2,16,17,19)
InChIKeyQOQBHJSCNKPPSL-UHFFFAOYSA-N
XLogP2.11
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-nitrophenyl)-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972296
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
1-(3-nitrophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 95400189
1-(cyclohexylmethyl)-3-(3-nitrophenyl)urea
CID 31772081
2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557297
1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide
CID 119557613
N-(3-nitrophenyl)-2-piperidin-4-ylacetamide
CID 119670753
3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555842
2-cyclohexyl-N-(3-nitrophenyl)acetamide
CID 1121006
1-(3-nitrophenyl)-3-piperidin-4-ylurea
CID 43167665
3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119460321

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea?
The IUPAC name of 1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea (CID 63628892) is 1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea.
What is the SMILES notation for 1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea?
The canonical SMILES for 1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea is O=C(NCCC1CCCNC1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea?
The InChIKey is QOQBHJSCNKPPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-14(16-8-6-11-3-2-7-15-10-11)17-12-4-1-5-13(9-12)18(20)21/h1,4-5,9,11,15H,2-3,6-8,10H2,(H2,16,17,19).
What are the key properties of 1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea?
1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea has a molecular weight of 292.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea is sourced from PubChem (CID 63628892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).