ethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate

C19H29N3O3 — CID 86893463

IUPACethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(c2ccccc2C)C(C)C)CC1
InChIInChI=1S/C19H29N3O3/c1-5-25-19(24)21-12-10-20(11-13-21)18(23)14-22(15(2)3)17-9-7-6-8-16(17)4/h6-9,15H,5,10-14H2,1-4H3
InChIKeyFAVWJPODLMGJKB-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.51
Rot. Bonds5

About ethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate (PubChem CID 86893463) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate
PubChem CID86893463
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(c2ccccc2C)C(C)C)CC1
InChIInChI=1S/C19H29N3O3/c1-5-25-19(24)21-12-10-20(11-13-21)18(23)14-22(15(2)3)17-9-7-6-8-16(17)4/h6-9,15H,5,10-14H2,1-4H3
InChIKeyFAVWJPODLMGJKB-UHFFFAOYSA-N
XLogP2.51
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(2-ethyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1148753
ethyl 4-[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1085929
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
ethyl 4-[2-(benzhydrylamino)acetyl]piperazine-1-carboxylate
CID 8596025
ethyl 4-[2-(N-benzylanilino)acetyl]piperazine-1-carboxylate
CID 109003906
ethyl 4-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]piperazine-1-carboxylate
CID 92663813
N-(2-ethoxyphenyl)-2-(2-methyl-N-propan-2-ylanilino)acetamide
CID 86893465
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
ethyl 4-[4-(2-methylphenoxy)butanoyl]piperazine-1-carboxylate
CID 108569168
ethyl 4-[2-(2-methylphenoxy)acetyl]-1,4-diazepane-1-carboxylate
CID 110799178
ethyl 4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazine-1-carboxylate
CID 97124771

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate (CID 86893463) is ethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CN(c2ccccc2C)C(C)C)CC1.
What is the InChIKey of ethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate?
The InChIKey is FAVWJPODLMGJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-25-19(24)21-12-10-20(11-13-21)18(23)14-22(15(2)3)17-9-7-6-8-16(17)4/h6-9,15H,5,10-14H2,1-4H3.
What are the key properties of ethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-methyl-N-propan-2-ylanilino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 86893463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).