cyclohexyl 2-(3-oxopiperazin-2-yl)acetate

C12H20N2O3 — CID 2996909

IUPACcyclohexyl 2-(3-oxopiperazin-2-yl)acetate
SMILESO=C(CC1NCCNC1=O)OC1CCCCC1
InChIInChI=1S/C12H20N2O3/c15-11(17-9-4-2-1-3-5-9)8-10-12(16)14-7-6-13-10/h9-10,13H,1-8H2,(H,14,16)
InChIKeyPMWYCHQEJICOSL-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.34
Rot. Bonds3

About cyclohexyl 2-(3-oxopiperazin-2-yl)acetate

cyclohexyl 2-(3-oxopiperazin-2-yl)acetate (PubChem CID 2996909) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is cyclohexyl 2-(3-oxopiperazin-2-yl)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(3-oxopiperazin-2-yl)acetate
PubChem CID2996909
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namecyclohexyl 2-(3-oxopiperazin-2-yl)acetate
SMILESO=C(CC1NCCNC1=O)OC1CCCCC1
InChIInChI=1S/C12H20N2O3/c15-11(17-9-4-2-1-3-5-9)8-10-12(16)14-7-6-13-10/h9-10,13H,1-8H2,(H,14,16)
InChIKeyPMWYCHQEJICOSL-UHFFFAOYSA-N
XLogP0.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(3-oxopiperazin-2-yl)acetate
CID 544550
(3R)-3-amino-4-[[(3S)-1-cyclohexyloxy-1-oxopentan-3-yl]amino]-4-oxobutanoic acid
CID 44369366
(3R)-3-amino-4-[(3-cyclohexyloxy-2-methyl-3-oxopropyl)amino]-4-oxobutanoic acid
CID 44369391
(3R)-3-amino-4-[(3-cyclohexyloxy-3-oxopropyl)amino]-4-oxobutanoic acid
CID 44369454
(3R)-3-amino-4-[[(2S)-4-cyclohexyloxy-4-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 44369467
(3R)-3-amino-4-[(2-cyclohexyloxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 44369806
(3S)-3-amino-4-[(2-cyclohexyloxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 44383141
(3S)-3-amino-4-[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 44383376
Tetrahydro-2-furanylmethyl 2-(3-oxo-2-piperazinyl)acetate
CID 2996967
Ethyl (3-oxodecahydroquinoxalin-2-yl)acetate
CID 2966520
Ethyl 2-(1-cyclohexyl-3-oxopiperazin-2-yl)acetate
CID 2997394
Isopropyl 2-(3-oxo-2-piperazinyl)acetate
CID 3455977

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(3-oxopiperazin-2-yl)acetate?
The IUPAC name of cyclohexyl 2-(3-oxopiperazin-2-yl)acetate (CID 2996909) is cyclohexyl 2-(3-oxopiperazin-2-yl)acetate.
What is the SMILES notation for cyclohexyl 2-(3-oxopiperazin-2-yl)acetate?
The canonical SMILES for cyclohexyl 2-(3-oxopiperazin-2-yl)acetate is O=C(CC1NCCNC1=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(3-oxopiperazin-2-yl)acetate?
The InChIKey is PMWYCHQEJICOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(17-9-4-2-1-3-5-9)8-10-12(16)14-7-6-13-10/h9-10,13H,1-8H2,(H,14,16).
What are the key properties of cyclohexyl 2-(3-oxopiperazin-2-yl)acetate?
cyclohexyl 2-(3-oxopiperazin-2-yl)acetate has a molecular weight of 240.30 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(3-oxopiperazin-2-yl)acetate is sourced from PubChem (CID 2996909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).