ethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate

C17H31N3O3 — CID 97258451

IUPACethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC2[C@H](C)CCC[C@H]2C)CC1
InChIInChI=1S/C17H31N3O3/c1-4-23-17(22)20-10-8-19(9-11-20)15(21)12-18-16-13(2)6-5-7-14(16)3/h13-14,16,18H,4-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyWDWODLOGGLULBE-ZIAGYGMSSA-N
MW325.45 g/mol
LogP1.70
Rot. Bonds4

About ethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate (PubChem CID 97258451) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is ethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate
PubChem CID97258451
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Nameethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC2[C@H](C)CCC[C@H]2C)CC1
InChIInChI=1S/C17H31N3O3/c1-4-23-17(22)20-10-8-19(9-11-20)15(21)12-18-16-13(2)6-5-7-14(16)3/h13-14,16,18H,4-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyWDWODLOGGLULBE-ZIAGYGMSSA-N
XLogP1.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate 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

ethyl 4-[2-[[(2R,3R,4R)-2,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]acetyl]piperazine-1-carboxylate
CID 124726014
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate
CID 61498288
ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate
CID 110305640
ethyl 4-[3-oxo-3-(propan-2-ylamino)propanoyl]piperazine-1-carboxylate
CID 108940832
ethyl 4-[(2,6-dimethylcyclohexyl)amino]butanoate
CID 64580844
ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate
CID 110285439
ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108941022
ethyl 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-carboxylate
CID 78914960
ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate
CID 113166314
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate (CID 97258451) is ethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNC2[C@H](C)CCC[C@H]2C)CC1.
What is the InChIKey of ethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate?
The InChIKey is WDWODLOGGLULBE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-4-23-17(22)20-10-8-19(9-11-20)15(21)12-18-16-13(2)6-5-7-14(16)3/h13-14,16,18H,4-12H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of ethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate has a molecular weight of 325.45 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 97258451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).