ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate

C14H20N4O3 — CID 112994654

IUPACethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate
SMILESCCOC(=O)NCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H20N4O3/c1-2-21-14(20)16-11-13(19)18-9-7-17(8-10-18)12-5-3-4-6-15-12/h3-6H,2,7-11H2,1H3,(H,16,20)
InChIKeyCAWBICOAGXDBHF-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.48
Rot. Bonds4

About ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate

ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate (PubChem CID 112994654) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate
PubChem CID112994654
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Nameethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate
SMILESCCOC(=O)NCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H20N4O3/c1-2-21-14(20)16-11-13(19)18-9-7-17(8-10-18)12-5-3-4-6-15-12/h3-6H,2,7-11H2,1H3,(H,16,20)
InChIKeyCAWBICOAGXDBHF-UHFFFAOYSA-N
XLogP0.48
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
ethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate
CID 109004841
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
CID 51100747
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
2-[(4-methylphenyl)methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108997062
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 3681923
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108994093

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate (CID 112994654) is ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate is CCOC(=O)NCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate?
The InChIKey is CAWBICOAGXDBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-21-14(20)16-11-13(19)18-9-7-17(8-10-18)12-5-3-4-6-15-12/h3-6H,2,7-11H2,1H3,(H,16,20).
What are the key properties of ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate?
ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate has a molecular weight of 292.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate is sourced from PubChem (CID 112994654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).