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

C15H27N3O3 — CID 110282833

IUPACN,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide
SMILESCCN(CC)C(=O)CC1NCCN(CC2CCCO2)C1=O
InChIInChI=1S/C15H27N3O3/c1-3-17(4-2)14(19)10-13-15(20)18(8-7-16-13)11-12-6-5-9-21-12/h12-13,16H,3-11H2,1-2H3
InChIKeyKKBYPBNYDVEXIA-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.22
Rot. Bonds6

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

N,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide (PubChem CID 110282833) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide
PubChem CID110282833
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide
SMILESCCN(CC)C(=O)CC1NCCN(CC2CCCO2)C1=O
InChIInChI=1S/C15H27N3O3/c1-3-17(4-2)14(19)10-13-15(20)18(8-7-16-13)11-12-6-5-9-21-12/h12-13,16H,3-11H2,1-2H3
InChIKeyKKBYPBNYDVEXIA-UHFFFAOYSA-N
XLogP0.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide
CID 110282877
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride
CID 110282902
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
N,N-diethyl-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110282446
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
CID 110283124
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 110283411
2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110282985
oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate
CID 110283312
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110282708
3-ethyl-1-(oxan-4-ylmethyl)piperazin-2-one
CID 63602279
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide
CID 110283149

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide (CID 110282833) is N,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide is CCN(CC)C(=O)CC1NCCN(CC2CCCO2)C1=O.
What is the InChIKey of N,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide?
The InChIKey is KKBYPBNYDVEXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-17(4-2)14(19)10-13-15(20)18(8-7-16-13)11-12-6-5-9-21-12/h12-13,16H,3-11H2,1-2H3.
What are the key properties of N,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide?
N,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 110282833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).