cyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate

C21H30N2O5 — CID 54856618

IUPACcyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate
SMILESO=C(CC1C(=O)NCCN1CC(O)COc1ccccc1)OC1CCCCC1
InChIInChI=1S/C21H30N2O5/c24-16(15-27-17-7-3-1-4-8-17)14-23-12-11-22-21(26)19(23)13-20(25)28-18-9-5-2-6-10-18/h1,3-4,7-8,16,18-19,24H,2,5-6,9-15H2,(H,22,26)
InChIKeyDVTSPNVONUYIQN-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.49
Rot. Bonds8

About cyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate

cyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 54856618) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is cyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate
PubChem CID54856618
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Namecyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate
SMILESO=C(CC1C(=O)NCCN1CC(O)COc1ccccc1)OC1CCCCC1
InChIInChI=1S/C21H30N2O5/c24-16(15-27-17-7-3-1-4-8-17)14-23-12-11-22-21(26)19(23)13-20(25)28-18-9-5-2-6-10-18/h1,3-4,7-8,16,18-19,24H,2,5-6,9-15H2,(H,22,26)
InChIKeyDVTSPNVONUYIQN-UHFFFAOYSA-N
XLogP1.49
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate
CID 54856610
3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one
CID 111436423
cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 4945035
ethyl 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]acetate
CID 7172640
(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423161
(2S)-1-[(2S)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423190
2-methylpropyl 2-[3-oxo-1-[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]piperazin-2-yl]acetate
CID 54822312
cyclohexyl 2-[1-[(2-fluorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 4950450
4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one
CID 2421334
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
cyclohexyl 2-[1-[(4-hexoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 4934173
cyclohexyl 2-[3-oxo-1-[(4-pentoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate
CID 4935904

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of cyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate (CID 54856618) is cyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for cyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for cyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate is O=C(CC1C(=O)NCCN1CC(O)COc1ccccc1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is DVTSPNVONUYIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c24-16(15-27-17-7-3-1-4-8-17)14-23-12-11-22-21(26)19(23)13-20(25)28-18-9-5-2-6-10-18/h1,3-4,7-8,16,18-19,24H,2,5-6,9-15H2,(H,22,26).
What are the key properties of cyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate?
cyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 390.48 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 54856618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).