1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide

C21H25N3O4 — CID 43923221

IUPAC1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide
SMILESCCOc1cccc(CN2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-2-28-20-8-3-5-16(13-20)15-23-11-9-17(10-12-23)21(25)22-18-6-4-7-19(14-18)24(26)27/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,22,25)
InChIKeyUYJDAEZLLDWBIQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.84
Rot. Bonds7

About 1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide

1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide (PubChem CID 43923221) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide
PubChem CID43923221
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide
SMILESCCOc1cccc(CN2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-2-28-20-8-3-5-16(13-20)15-23-11-9-17(10-12-23)21(25)22-18-6-4-7-19(14-18)24(26)27/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,22,25)
InChIKeyUYJDAEZLLDWBIQ-UHFFFAOYSA-N
XLogP3.84
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.84
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

1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 53284530
N-(3,5-dimethylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43919237
1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
N-(3-chloro-4-methylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921689
N-(1,3-benzodioxol-5-yl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921462
1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
CID 38098399
4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 27165112
1-[(3-ethoxyphenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43920258
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate
CID 43924414
1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 167387723
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide (CID 43923221) is 1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide is CCOc1cccc(CN2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1.
What is the InChIKey of 1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is UYJDAEZLLDWBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-2-28-20-8-3-5-16(13-20)15-23-11-9-17(10-12-23)21(25)22-18-6-4-7-19(14-18)24(26)27/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,22,25).
What are the key properties of 1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide?
1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 43923221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).