[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate

C18H31N3O7S — CID 55403884

IUPAC[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COC(=O)C2CCN(S(=O)(=O)CC)CC2)CC1
InChIInChI=1S/C18H31N3O7S/c1-3-27-18(24)20-9-7-15(8-10-20)19-16(22)13-28-17(23)14-5-11-21(12-6-14)29(25,26)4-2/h14-15H,3-13H2,1-2H3,(H,19,22)
InChIKeyAKFSLNFXDHJPPZ-UHFFFAOYSA-N
MW433.53 g/mol
LogP0.33
Rot. Bonds7

About [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate

[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate (PubChem CID 55403884) has the molecular formula C18H31N3O7S and a molecular weight of 433.53 g/mol. Its IUPAC name is [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate
PubChem CID55403884
Molecular FormulaC18H31N3O7S
Molecular Weight433.53 g/mol
Exact Mass433.19
IUPAC Name[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COC(=O)C2CCN(S(=O)(=O)CC)CC2)CC1
InChIInChI=1S/C18H31N3O7S/c1-3-27-18(24)20-9-7-15(8-10-20)19-16(22)13-28-17(23)14-5-11-21(12-6-14)29(25,26)4-2/h14-15H,3-13H2,1-2H3,(H,19,22)
InChIKeyAKFSLNFXDHJPPZ-UHFFFAOYSA-N
XLogP0.33
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate 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

ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
methyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754691
ethyl 4-[[2-[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]oxyacetyl]amino]piperidine-1-carboxylate
CID 55398630
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
CID 108942361
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812470
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049470
ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 51165095
ethyl 4-[[2-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]oxyacetyl]amino]piperidine-1-carboxylate
CID 46607746
ethyl 1-(2-chloroethylsulfonyl)piperidine-4-carboxylate
CID 107650934

Frequently Asked Questions

What is the IUPAC name of [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate (CID 55403884) is [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate is CCOC(=O)N1CCC(NC(=O)COC(=O)C2CCN(S(=O)(=O)CC)CC2)CC1.
What is the InChIKey of [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate?
The InChIKey is AKFSLNFXDHJPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O7S/c1-3-27-18(24)20-9-7-15(8-10-20)19-16(22)13-28-17(23)14-5-11-21(12-6-14)29(25,26)4-2/h14-15H,3-13H2,1-2H3,(H,19,22).
What are the key properties of [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate?
[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate has a molecular weight of 433.53 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 55403884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).