[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate

C19H24Cl2N2O4 — CID 55818237

IUPAC[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCCC(C(=O)OCC(=O)NC(C)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H24Cl2N2O4/c1-3-18(25)23-8-4-5-14(10-23)19(26)27-11-17(24)22-12(2)13-6-7-15(20)16(21)9-13/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3,(H,22,24)
InChIKeyOAIIXKJNDDBDDB-UHFFFAOYSA-N
MW415.32 g/mol
LogP3.36
Rot. Bonds6

About [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate

[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate (PubChem CID 55818237) has the molecular formula C19H24Cl2N2O4 and a molecular weight of 415.32 g/mol. Its IUPAC name is [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
PubChem CID55818237
Molecular FormulaC19H24Cl2N2O4
Molecular Weight415.32 g/mol
Exact Mass414.11
IUPAC Name[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCCC(C(=O)OCC(=O)NC(C)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H24Cl2N2O4/c1-3-18(25)23-8-4-5-14(10-23)19(26)27-11-17(24)22-12(2)13-6-7-15(20)16(21)9-13/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3,(H,22,24)
InChIKeyOAIIXKJNDDBDDB-UHFFFAOYSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812420
ethyl 1-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931323
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 55510779
ethyl 1-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 51170825
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 1-propanoylpiperidine-3-carboxylate
CID 55994853
2-[cyclohexyl(methyl)amino]-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 42913403
[2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate
CID 55818110
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (3R)-1-propanoylpiperidine-3-carboxylate
CID 51962025
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (3S)-1-propanoylpiperidine-3-carboxylate
CID 51962024
(3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 94609410
1-[10-[3-(3,4-dichlorophenyl)butyl]-3,10-diazabicyclo[4.3.1]decan-3-yl]propan-1-one
CID 44625279
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
CID 55817828

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
The IUPAC name of [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate (CID 55818237) is [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate.
What is the SMILES notation for [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
The canonical SMILES for [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate is CCC(=O)N1CCCC(C(=O)OCC(=O)NC(C)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
The InChIKey is OAIIXKJNDDBDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O4/c1-3-18(25)23-8-4-5-14(10-23)19(26)27-11-17(24)22-12(2)13-6-7-15(20)16(21)9-13/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3,(H,22,24).
What are the key properties of [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate has a molecular weight of 415.32 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate is sourced from PubChem (CID 55818237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).