2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide

C15H27N3O3 — CID 129492016

IUPAC2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide
SMILESCC[C@H]1OCCC[C@H]1C(=O)N1CCN(CC(=O)NC)CC1
InChIInChI=1S/C15H27N3O3/c1-3-13-12(5-4-10-21-13)15(20)18-8-6-17(7-9-18)11-14(19)16-2/h12-13H,3-11H2,1-2H3,(H,16,19)/t12-,13-/m1/s1
InChIKeyDBUOKUKJTANAPF-CHWSQXEVSA-N
MW297.40 g/mol
LogP0.08
Rot. Bonds4

About 2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide

2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 129492016) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide
PubChem CID129492016
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide
SMILESCC[C@H]1OCCC[C@H]1C(=O)N1CCN(CC(=O)NC)CC1
InChIInChI=1S/C15H27N3O3/c1-3-13-12(5-4-10-21-13)15(20)18-8-6-17(7-9-18)11-14(19)16-2/h12-13H,3-11H2,1-2H3,(H,16,19)/t12-,13-/m1/s1
InChIKeyDBUOKUKJTANAPF-CHWSQXEVSA-N
XLogP0.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3S)-2-ethyloxan-3-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 129492691
cis-(1S,2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93377074
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide
CID 47124968
N-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 41325287
[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 129479295
4-[(2R,3R)-2-ethyloxane-3-carbonyl]-1-methyl-1,4-diazepan-2-one
CID 129492439
4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 128995955
1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]imidazolidin-2-one
CID 129491970
N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 60717609
methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate
CID 114104347
2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide
CID 129002863
N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 78787879

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide (CID 129492016) is 2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide is CC[C@H]1OCCC[C@H]1C(=O)N1CCN(CC(=O)NC)CC1.
What is the InChIKey of 2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is DBUOKUKJTANAPF-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-13-12(5-4-10-21-13)15(20)18-8-6-17(7-9-18)11-14(19)16-2/h12-13H,3-11H2,1-2H3,(H,16,19)/t12-,13-/m1/s1.
What are the key properties of 2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide?
2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 297.40 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 129492016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).