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

C15H25N3O4 — CID 113158536

IUPACethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate
SMILESC=CCN(CC(=O)NC1CCN(C(=O)OCC)CC1)C(C)=O
InChIInChI=1S/C15H25N3O4/c1-4-8-18(12(3)19)11-14(20)16-13-6-9-17(10-7-13)15(21)22-5-2/h4,13H,1,5-11H2,2-3H3,(H,16,20)
InChIKeyXGVICFQWCAZIIU-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.76
Rot. Bonds6

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

ethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate (PubChem CID 113158536) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate
PubChem CID113158536
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nameethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate
SMILESC=CCN(CC(=O)NC1CCN(C(=O)OCC)CC1)C(C)=O
InChIInChI=1S/C15H25N3O4/c1-4-8-18(12(3)19)11-14(20)16-13-6-9-17(10-7-13)15(21)22-5-2/h4,13H,1,5-11H2,2-3H3,(H,16,20)
InChIKeyXGVICFQWCAZIIU-UHFFFAOYSA-N
XLogP0.76
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165659
ethyl 4-[[2-[acetyl(2-morpholin-4-ylethyl)amino]acetyl]amino]piperidine-1-carboxylate
CID 113160641
ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]piperidine-1-carboxylate
CID 113149821
ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113167125
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[[(3Z)-3-amino-3-hydroxyiminopropanoyl]amino]piperidine-1-carboxylate
CID 43333243
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
CID 108942361
4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991785
ethyl 4-[[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108942733
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
ethyl 4-[[2-(N-acetyl-3,4-dimethylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113168296
ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108941022

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate (CID 113158536) is ethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate is C=CCN(CC(=O)NC1CCN(C(=O)OCC)CC1)C(C)=O.
What is the InChIKey of ethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is XGVICFQWCAZIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-4-8-18(12(3)19)11-14(20)16-13-6-9-17(10-7-13)15(21)22-5-2/h4,13H,1,5-11H2,2-3H3,(H,16,20).
What are the key properties of ethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113158536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).