methyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

C16H27N3O4 — CID 8562172

IUPACmethyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C16H27N3O4/c1-11-5-3-4-6-12(11)18-14(20)10-19-8-7-17-16(22)13(19)9-15(21)23-2/h11-13H,3-10H2,1-2H3,(H,17,22)(H,18,20)/t11-,12+,13+/m0/s1
InChIKeyCFJLDLKZYBRCLH-YNEHKIRRSA-N
MW325.41 g/mol
LogP0.04
Rot. Bonds5

About methyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

methyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 8562172) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
PubChem CID8562172
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Namemethyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C16H27N3O4/c1-11-5-3-4-6-12(11)18-14(20)10-19-8-7-17-16(22)13(19)9-15(21)23-2/h11-13H,3-10H2,1-2H3,(H,17,22)(H,18,20)/t11-,12+,13+/m0/s1
InChIKeyCFJLDLKZYBRCLH-YNEHKIRRSA-N
XLogP0.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-N-[N-[N-(4-(piperidin-4-yl)butanoyl)-N-ethylglycyl]aspartyl]-ethylamine
CID 10698729
(S)-N-((R)-1-Carbamoyl-2-cyclohexyl-ethyl)-3-{2-[ethyl-(4-piperidin-4-yl-butyryl)-amino]-acetylamino}-succinamic acid
CID 44462165
Rpr-109891
CID 9806811
4-[(1-Amino-3-cyclohexyl-1-oxopropan-2-yl)amino]-3-[[2-[ethyl(4-piperidin-4-ylbutanoyl)amino]acetyl]amino]-4-oxobutanoic acid
CID 21263312
[1-(Cyclohexylmethyl)-3-oxo-2-piperazinyl]acetic acid
CID 2997325
Ethyl 2-(1-cyclohexyl-3-oxopiperazin-2-yl)acetate
CID 2997394
ethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate
CID 1382907
Methyl 1-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]piperidine-4-carboxylate
CID 78841078
Ethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate
CID 2997384
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-(3-methoxypropyl)acetamide
CID 45173714
Methyl 4-[[2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetyl]amino]butanoate
CID 45205544
Methyl 4-{[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]amino}-4-oxobutanoate
CID 45223728

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (CID 8562172) is methyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of methyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is CFJLDLKZYBRCLH-YNEHKIRRSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-11-5-3-4-6-12(11)18-14(20)10-19-8-7-17-16(22)13(19)9-15(21)23-2/h11-13H,3-10H2,1-2H3,(H,17,22)(H,18,20)/t11-,12+,13+/m0/s1.
What are the key properties of methyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
methyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 325.41 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 8562172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).