ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate

C16H29N3O4 — CID 113056358

IUPACethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCNC(=O)C(C)C)C(C)=O)CC1
InChIInChI=1S/C16H29N3O4/c1-5-23-16(22)18-9-6-14(7-10-18)19(13(4)20)11-8-17-15(21)12(2)3/h12,14H,5-11H2,1-4H3,(H,17,21)
InChIKeyFGSBIHBAOSNMFE-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.23
Rot. Bonds6

About ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate

ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate (PubChem CID 113056358) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate
PubChem CID113056358
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Nameethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCNC(=O)C(C)C)C(C)=O)CC1
InChIInChI=1S/C16H29N3O4/c1-5-23-16(22)18-9-6-14(7-10-18)19(13(4)20)11-8-17-15(21)12(2)3/h12,14H,5-11H2,1-4H3,(H,17,21)
InChIKeyFGSBIHBAOSNMFE-UHFFFAOYSA-N
XLogP1.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 31011883
N-[2-[acetyl(cyclopentyl)amino]ethyl]-2-methylpropanamide
CID 113052772
ethyl 4-[acetyl-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]amino]piperidine-1-carboxylate
CID 113056379
ethyl 4-[acetyl-[2-(3-phenylpropanoylamino)ethyl]amino]piperidine-1-carboxylate
CID 113056382
ethyl 4-[acetyl-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]amino]piperidine-1-carboxylate
CID 113056390
ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165659
ethyl 4-[acetyl-[3-(tert-butylamino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122153
ethyl 4-[2-(2-ethylbutanoylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate
CID 113067916
ethyl 4-[[N'-methyl-N-[2-(2-methylpropanoylamino)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111328360
ethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122126
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
ethyl 4-[acetyl-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122143

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate (CID 113056358) is ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(CCNC(=O)C(C)C)C(C)=O)CC1.
What is the InChIKey of ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate?
The InChIKey is FGSBIHBAOSNMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-5-23-16(22)18-9-6-14(7-10-18)19(13(4)20)11-8-17-15(21)12(2)3/h12,14H,5-11H2,1-4H3,(H,17,21).
What are the key properties of ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate?
ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113056358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).