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

C15H25N3O4 — CID 4889004

IUPACethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C15H25N3O4/c1-2-22-13(19)10-12-14(20)16-8-9-18(12)15(21)17-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,16,20)(H,17,21)
InChIKeyXJQNVCUBXUXZDU-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.78
Rot. Bonds4

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

ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 4889004) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
PubChem CID4889004
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nameethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C15H25N3O4/c1-2-22-13(19)10-12-14(20)16-8-9-18(12)15(21)17-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,16,20)(H,17,21)
InChIKeyXJQNVCUBXUXZDU-UHFFFAOYSA-N
XLogP0.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl {1-[(ethylamino)carbonyl]-3-oxopiperazin-2-yl}acetate
CID 2954797
2-Quinoxalineacetic acid, 1-[(ethylamino)carbonyl]decahydro-3-oxo-, ethyl ester
CID 2969387
Ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate
CID 2996871
Methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
CID 2950779
Ethyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 4880073
Ethyl 2-[1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 2969027
Ethyl (3-oxodecahydroquinoxalin-2-yl)acetate
CID 2966520
Ethyl 2-(1-cyclohexyl-3-oxopiperazin-2-yl)acetate
CID 2997394
ethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate
CID 1382907
Ethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 42996458
methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate
CID 944840
Methyl 3-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-(diethylamino)-4-oxobutanoate
CID 10364173

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate (CID 4889004) is ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate is CCOC(=O)CC1C(=O)NCCN1C(=O)NC1CCCCC1.
What is the InChIKey of ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is XJQNVCUBXUXZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-2-22-13(19)10-12-14(20)16-8-9-18(12)15(21)17-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,16,20)(H,17,21).
What are the key properties of ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 311.38 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 4889004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).