ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate

C17H25N3O3 — CID 38151040

IUPACethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCCc2ccccc2C)CC1
InChIInChI=1S/C17H25N3O3/c1-3-23-17(22)20-12-10-19(11-13-20)16(21)18-9-8-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,18,21)
InChIKeyMTCRXLZTLHRLSR-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.02
Rot. Bonds4

About ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate

ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate (PubChem CID 38151040) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
PubChem CID38151040
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Nameethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCCc2ccccc2C)CC1
InChIInChI=1S/C17H25N3O3/c1-3-23-17(22)20-12-10-19(11-13-20)16(21)18-9-8-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,18,21)
InChIKeyMTCRXLZTLHRLSR-UHFFFAOYSA-N
XLogP2.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132871
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
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ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate
CID 6734798
methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132987
4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804
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CID 108989656
ethyl 4-[N-ethyl-N'-[(2-methylphenyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163216
tert-butyl 4-[2-(2-chlorophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 108900441
ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate
CID 48964132
2-(ethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 78912717
ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate
CID 110625494
ethyl 4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]piperazine-1-carboxylate
CID 108874727

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate (CID 38151040) is ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)NCCc2ccccc2C)CC1.
What is the InChIKey of ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate?
The InChIKey is MTCRXLZTLHRLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-23-17(22)20-12-10-19(11-13-20)16(21)18-9-8-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,18,21).
What are the key properties of ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 38151040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).