methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate

C14H23N3O4 — CID 2950779

IUPACmethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3O4/c1-21-12(18)9-11-13(19)15-7-8-17(11)14(20)16-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyIQSHTNWJFNAZED-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.39
Rot. Bonds3

About methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate

methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 2950779) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
PubChem CID2950779
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Namemethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3O4/c1-21-12(18)9-11-13(19)15-7-8-17(11)14(20)16-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyIQSHTNWJFNAZED-UHFFFAOYSA-N
XLogP0.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 2465072
Methyl {1-[(ethylamino)carbonyl]-3-oxopiperazin-2-yl}acetate
CID 2954797
Methyl (3-oxodecahydroquinoxalin-2-yl)acetate
CID 2950726
2-Quinoxalineacetic acid, 1-[(ethylamino)carbonyl]decahydro-3-oxo-, ethyl ester
CID 2969387
Ethyl [1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
CID 4889004
Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 4890888
Methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate
CID 2959122
Ethyl 2-(1-cyclohexyl-3-oxopiperazin-2-yl)acetate
CID 2997394
ethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate
CID 1382907
methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate
CID 944840
methyl 2-[(2~{S})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate
CID 946789
Methyl 3-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-(diethylamino)-4-oxobutanoate
CID 10364173

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate (CID 2950779) is methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1C(=O)NC1CCCCC1.
What is the InChIKey of methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is IQSHTNWJFNAZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-21-12(18)9-11-13(19)15-7-8-17(11)14(20)16-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,15,19)(H,16,20).
What are the key properties of methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 297.36 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 2950779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).