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

C16H25N3O3 — CID 8931260

IUPACethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NC2(C#N)CCCC2)CC1
InChIInChI=1S/C16H25N3O3/c1-2-22-15(21)13-5-9-19(10-6-13)11-14(20)18-16(12-17)7-3-4-8-16/h13H,2-11H2,1H3,(H,18,20)
InChIKeyHERAWIVMNMJERJ-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.21
Rot. Bonds5

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

ethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 8931260) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID8931260
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nameethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NC2(C#N)CCCC2)CC1
InChIInChI=1S/C16H25N3O3/c1-2-22-15(21)13-5-9-19(10-6-13)11-14(20)18-16(12-17)7-3-4-8-16/h13H,2-11H2,1H3,(H,18,20)
InChIKeyHERAWIVMNMJERJ-UHFFFAOYSA-N
XLogP1.21
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate (CID 8931260) is ethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)NC2(C#N)CCCC2)CC1.
What is the InChIKey of ethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is HERAWIVMNMJERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-22-15(21)13-5-9-19(10-6-13)11-14(20)18-16(12-17)7-3-4-8-16/h13H,2-11H2,1H3,(H,18,20).
What are the key properties of ethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8931260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).