ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate

C17H24ClN3O3 — CID 109028946

IUPACethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-8-13(9-12-21)19-10-7-16(22)20-15-6-4-3-5-14(15)18/h3-6,13,19H,2,7-12H2,1H3,(H,20,22)
InChIKeyHZAPUKIKGSYNDB-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.88
Rot. Bonds6

About ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate

ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate (PubChem CID 109028946) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
PubChem CID109028946
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Nameethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-8-13(9-12-21)19-10-7-16(22)20-15-6-4-3-5-14(15)18/h3-6,13,19H,2,7-12H2,1H3,(H,20,22)
InChIKeyHZAPUKIKGSYNDB-UHFFFAOYSA-N
XLogP2.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028976
ethyl 4-[(2-chlorophenyl)carbamothioylamino]piperidine-1-carboxylate
CID 3869393
ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028940
ethyl 4-[2-(2-chloroanilino)-2-oxoacetyl]piperazine-1-carboxylate
CID 108500387
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044
ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate
CID 3586472
ethyl 4-[[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112875223
ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109025237
ethyl 4-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]piperazine-1-carboxylate
CID 9038050
ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028834
3-(cyclopropylamino)-N-(2-ethylphenyl)propanamide
CID 60842650

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate (CID 109028946) is ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate?
The InChIKey is HZAPUKIKGSYNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-8-13(9-12-21)19-10-7-16(22)20-15-6-4-3-5-14(15)18/h3-6,13,19H,2,7-12H2,1H3,(H,20,22).
What are the key properties of ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate has a molecular weight of 353.85 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109028946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).