N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide

C13H23N3O3 — CID 110282877

IUPACN-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide
SMILESCCNC(=O)CC1NCCN(CC2CCCO2)C1=O
InChIInChI=1S/C13H23N3O3/c1-2-14-12(17)8-11-13(18)16(6-5-15-11)9-10-4-3-7-19-10/h10-11,15H,2-9H2,1H3,(H,14,17)
InChIKeyGGSYMBZZIQIVOH-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.51
Rot. Bonds5

About N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide

N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide (PubChem CID 110282877) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide
PubChem CID110282877
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide
SMILESCCNC(=O)CC1NCCN(CC2CCCO2)C1=O
InChIInChI=1S/C13H23N3O3/c1-2-14-12(17)8-11-13(18)16(6-5-15-11)9-10-4-3-7-19-10/h10-11,15H,2-9H2,1H3,(H,14,17)
InChIKeyGGSYMBZZIQIVOH-UHFFFAOYSA-N
XLogP-0.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride
CID 110282902
N,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide
CID 110282833
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide
CID 110282899
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide;hydrochloride
CID 110282898
2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110282985
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110282708
oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate
CID 110283312
3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one
CID 22984909
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 110283411
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 110283482
oxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 110283900
methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate
CID 86316765

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide?
The IUPAC name of N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide (CID 110282877) is N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide is CCNC(=O)CC1NCCN(CC2CCCO2)C1=O.
What is the InChIKey of N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide?
The InChIKey is GGSYMBZZIQIVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-14-12(17)8-11-13(18)16(6-5-15-11)9-10-4-3-7-19-10/h10-11,15H,2-9H2,1H3,(H,14,17).
What are the key properties of N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide?
N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide has a molecular weight of 269.34 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 110282877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).