2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide

C18H26N4O4 — CID 134086224

IUPAC2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C18H26N4O4/c23-18(19-15-4-6-17(7-5-15)22(24)25)21-9-2-1-3-16(21)8-10-20-11-13-26-14-12-20/h4-7,16H,1-3,8-14H2,(H,19,23)
InChIKeyUVBNEZHEDBANEO-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.70
Rot. Bonds5

About 2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide

2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide (PubChem CID 134086224) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
PubChem CID134086224
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C18H26N4O4/c23-18(19-15-4-6-17(7-5-15)22(24)25)21-9-2-1-3-16(21)8-10-20-11-13-26-14-12-20/h4-7,16H,1-3,8-14H2,(H,19,23)
InChIKeyUVBNEZHEDBANEO-UHFFFAOYSA-N
XLogP2.70
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
N-(4-nitrophenyl)piperidine-1-carboxamide
CID 270383
Morpholin-4-yl[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3136316
N-(4-anilinophenyl)-4-morpholinecarboxamide
CID 752006
1-(4-Morpholinophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783007
1-(4-Nitrophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783008
N-(4-nitrophenyl)morpholine-4-carbothioamide
CID 2903043
N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide
CID 669699
N-cyclohexyl-N'-[4-(4-morpholinyl)phenyl]urea
CID 800971
1-(1-Morpholin-4-yl-1-phenylpropan-2-yl)-3-(4-nitrophenyl)urea
CID 3385342
N-[3-(4-methylpiperazin-1-yl)propyl]-N'-(4-nitrophenyl)urea
CID 24761440
2-(Morpholin-4-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2866550

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide (CID 134086224) is 2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1CCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide?
The InChIKey is UVBNEZHEDBANEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c23-18(19-15-4-6-17(7-5-15)22(24)25)21-9-2-1-3-16(21)8-10-20-11-13-26-14-12-20/h4-7,16H,1-3,8-14H2,(H,19,23).
What are the key properties of 2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide?
2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 134086224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).