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

C15H25N3O4 — CID 113165659

IUPACethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CC(=O)NC2CC2)C(C)=O)CC1
InChIInChI=1S/C15H25N3O4/c1-3-22-15(21)17-8-6-13(7-9-17)18(11(2)19)10-14(20)16-12-4-5-12/h12-13H,3-10H2,1-2H3,(H,16,20)
InChIKeyDRFMESGPKQTVLJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.73
Rot. Bonds5

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

ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate (PubChem CID 113165659) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
PubChem CID113165659
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nameethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CC(=O)NC2CC2)C(C)=O)CC1
InChIInChI=1S/C15H25N3O4/c1-3-22-15(21)17-8-6-13(7-9-17)18(11(2)19)10-14(20)16-12-4-5-12/h12-13H,3-10H2,1-2H3,(H,16,20)
InChIKeyDRFMESGPKQTVLJ-UHFFFAOYSA-N
XLogP0.73
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate
CID 113158536
ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108941022
ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113167125
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
CID 108942361
ethyl 4-[[(3Z)-3-amino-3-hydroxyiminopropanoyl]amino]piperidine-1-carboxylate
CID 43333243
ethyl 4-[[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108942733
ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate
CID 113166314
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate
CID 113056358
ethyl 4-[[2-[acetyl(2-morpholin-4-ylethyl)amino]acetyl]amino]piperidine-1-carboxylate
CID 113160641
ethyl 4-[[2-(N-acetyl-3,4-dimethylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113168296
ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate
CID 113149821

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate (CID 113165659) is ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(CC(=O)NC2CC2)C(C)=O)CC1.
What is the InChIKey of ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The InChIKey is DRFMESGPKQTVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-3-22-15(21)17-8-6-13(7-9-17)18(11(2)19)10-14(20)16-12-4-5-12/h12-13H,3-10H2,1-2H3,(H,16,20).
What are the key properties of ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate?
ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113165659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).