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

(2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 97273868
(2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95715007
2-(methylaminomethyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 115316419
2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 3456969
(3S)-3-benzyl-N-(4-nitrophenyl)morpholine-4-carboxamide
CID 99814447
2-(2-morpholin-4-ylethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 72897752
2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate
CID 177431935
N-(5-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 56894380
N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide
CID 134113677
(2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95707481
2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
CID 108513142
2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 74244699

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).