[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone

C22H26N2O4 — CID 24575263

IUPAC[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone
SMILESCCOc1ccc(CCC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1
InChIInChI=1S/C22H26N2O4/c1-2-28-19-11-9-17(10-12-19)7-8-18-13-15-23(16-14-18)22(25)20-5-3-4-6-21(20)24(26)27/h3-6,9-12,18H,2,7-8,13-16H2,1H3
InChIKeyRPGWTVPUTJFJPL-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.48
Rot. Bonds7

About [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone

[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone (PubChem CID 24575263) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone.

Molecular Properties

Compound Name[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone
PubChem CID24575263
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone
SMILESCCOc1ccc(CCC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1
InChIInChI=1S/C22H26N2O4/c1-2-28-19-11-9-17(10-12-19)7-8-18-13-15-23(16-14-18)22(25)20-5-3-4-6-21(20)24(26)27/h3-6,9-12,18H,2,7-8,13-16H2,1H3
InChIKeyRPGWTVPUTJFJPL-UHFFFAOYSA-N
XLogP4.48
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
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'}

Analyze [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 24575303
(2-chloro-5-methylsulfonylphenyl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55479704
3-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 119275974
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(2-nitrophenyl)methanone
CID 115746394
5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
CID 86890205
2-chloro-N-[(2S)-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 24575260
[3-(aminomethyl)pyrrolidin-1-yl]-(2-nitrophenyl)methanone
CID 55030749
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 18273478
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24575278
1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone
CID 55514283
4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one
CID 120559552
(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 24720426

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone?
The IUPAC name of [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone (CID 24575263) is [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone.
What is the SMILES notation for [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone?
The canonical SMILES for [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone is CCOc1ccc(CCC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1.
What is the InChIKey of [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone?
The InChIKey is RPGWTVPUTJFJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-2-28-19-11-9-17(10-12-19)7-8-18-13-15-23(16-14-18)22(25)20-5-3-4-6-21(20)24(26)27/h3-6,9-12,18H,2,7-8,13-16H2,1H3.
What are the key properties of [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone?
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone has a molecular weight of 382.46 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone is sourced from PubChem (CID 24575263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).