ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate

C18H27N3O3 — CID 9431113

IUPACethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-24-18(23)21-13-11-20(12-14-21)15(2)17(22)19-10-9-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyPOZAMZFIUGTDNK-OAHLLOKOSA-N
MW333.43 g/mol
LogP1.51
Rot. Bonds6

About ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate

ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate (PubChem CID 9431113) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate
PubChem CID9431113
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nameethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-24-18(23)21-13-11-20(12-14-21)15(2)17(22)19-10-9-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyPOZAMZFIUGTDNK-OAHLLOKOSA-N
XLogP1.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]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

(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide
CID 9443521
ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate
CID 9431131
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)propanamide
CID 30741193
ethyl 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 46631043
benzyl 4-(3-oxopentan-2-yl)piperazine-1-carboxylate
CID 90862168
2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide
CID 11793239
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
CID 94396893
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 55565482
ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
CID 93209412
N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate (CID 9431113) is ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate?
The InChIKey is POZAMZFIUGTDNK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-24-18(23)21-13-11-20(12-14-21)15(2)17(22)19-10-9-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,19,22)/t15-/m1/s1.
What are the key properties of ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate?
ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 9431113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).