ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate

C15H27N3O3 — CID 43768044

IUPACethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCC(=O)N2CCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-2-21-15(20)18-11-6-13(7-12-18)16-8-5-14(19)17-9-3-4-10-17/h13,16H,2-12H2,1H3
InChIKeyOYBNYQHYVHRDAC-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.21
Rot. Bonds5

About ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate

ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate (PubChem CID 43768044) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
PubChem CID43768044
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nameethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCC(=O)N2CCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-2-21-15(20)18-11-6-13(7-12-18)16-8-5-14(19)17-9-3-4-10-17/h13,16H,2-12H2,1H3
InChIKeyOYBNYQHYVHRDAC-UHFFFAOYSA-N
XLogP1.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109017486
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
CID 108942361
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate
CID 103235028
ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate
CID 106451480
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate
CID 83117025
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43768079
ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028946
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate (CID 43768044) is ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCC(=O)N2CCCC2)CC1.
What is the InChIKey of ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate?
The InChIKey is OYBNYQHYVHRDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-21-15(20)18-11-6-13(7-12-18)16-8-5-14(19)17-9-3-4-10-17/h13,16H,2-12H2,1H3.
What are the key properties of ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 43768044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).