N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

C23H36N4O4 — CID 46529363

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCCC(CC)C(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCOCC1
InChIInChI=1S/C23H36N4O4/c1-3-18(4-2)22(26-13-15-31-16-14-26)17-24-23(28)19-9-11-25(12-10-19)20-7-5-6-8-21(20)27(29)30/h5-8,18-19,22H,3-4,9-17H2,1-2H3,(H,24,28)
InChIKeyOQTZWVQBXMTTKU-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.06
Rot. Bonds9

About N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 46529363) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID46529363
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCCC(CC)C(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCOCC1
InChIInChI=1S/C23H36N4O4/c1-3-18(4-2)22(26-13-15-31-16-14-26)17-24-23(28)19-9-11-25(12-10-19)20-7-5-6-8-21(20)27(29)30/h5-8,18-19,22H,3-4,9-17H2,1-2H3,(H,24,28)
InChIKeyOQTZWVQBXMTTKU-UHFFFAOYSA-N
XLogP3.06
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 27659238
4-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55646355
1-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 51326573
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904
N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 87041286
1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 26861360
N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55836642
N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 42907237
N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134053091
N-[2-(4-ethoxyphenoxy)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9022621
1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide
CID 112813971
1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide
CID 17499311

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 46529363) is N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is CCC(CC)C(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is OQTZWVQBXMTTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4/c1-3-18(4-2)22(26-13-15-31-16-14-26)17-24-23(28)19-9-11-25(12-10-19)20-7-5-6-8-21(20)27(29)30/h5-8,18-19,22H,3-4,9-17H2,1-2H3,(H,24,28).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 46529363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).