ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate

C17H22N2O6 — CID 17230843

IUPACethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H22N2O6/c1-3-24-17(21)13-8-10-18(11-9-13)16(20)12(2)25-15-6-4-14(5-7-15)19(22)23/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyWLNXTQDMYGQSFS-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.16
Rot. Bonds6

About ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate

ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate (PubChem CID 17230843) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate
PubChem CID17230843
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Nameethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H22N2O6/c1-3-24-17(21)13-8-10-18(11-9-13)16(20)12(2)25-15-6-4-14(5-7-15)19(22)23/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyWLNXTQDMYGQSFS-UHFFFAOYSA-N
XLogP2.16
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
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

ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate
CID 47005116
4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate
CID 70076614
ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
CID 78784294
ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate
CID 2943790
ethyl 1-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperidine-4-carboxylate
CID 3409235
ethyl 1-(2-iodo-5-nitrobenzoyl)piperidine-4-carboxylate
CID 39715932
2-(4-nitrophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2970972
3-[4-[2-(4-nitrophenoxy)propanoyl]piperazin-1-yl]propanenitrile
CID 54788015
ethyl 1-[2-[2-(4-nitrophenyl)sulfanylacetyl]oxyacetyl]piperidine-4-carboxylate
CID 7132262
(2S)-2-(4-nitrophenoxy)-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one
CID 29092174
ethyl 1-[(2S)-2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate
CID 93486703

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate (CID 17230843) is ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate?
The InChIKey is WLNXTQDMYGQSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-3-24-17(21)13-8-10-18(11-9-13)16(20)12(2)25-15-6-4-14(5-7-15)19(22)23/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 17230843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).