ethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate

C18H27N3O3 — CID 3262647

IUPACethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)Nc2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C18H27N3O3/c1-5-24-17(22)12-20-6-8-21(9-7-20)18(23)19-16-11-14(3)13(2)10-15(16)4/h10-11H,5-9,12H2,1-4H3,(H,19,23)
InChIKeyFLSSBESIEGXWGA-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.32
Rot. Bonds4

About ethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate

ethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate (PubChem CID 3262647) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate
PubChem CID3262647
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nameethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)Nc2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C18H27N3O3/c1-5-24-17(22)12-20-6-8-21(9-7-20)18(23)19-16-11-14(3)13(2)10-15(16)4/h10-11H,5-9,12H2,1-4H3,(H,19,23)
InChIKeyFLSSBESIEGXWGA-UHFFFAOYSA-N
XLogP2.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[(4-bromo-2-methylphenyl)carbamoyl]piperazin-1-yl]acetate
CID 3721507
ethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 3702390
sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
CID 23722784
4-(aminosulfanylmethyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 141244559
ethyl 4-[[5-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-2,6-dimethyl-3-pyridinyl]carbamoyl]piperazine-1-carboxylate
CID 4616185
ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
CID 166436255
ethyl 2-(2,4,5-trimethylanilino)acetate
CID 115257207
ethyl 2-[4-[(4-tert-butylphenyl)carbamothioyl]piperazin-1-yl]acetate
CID 4996156
2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61206204
ethyl 2-(azocan-1-yl)acetate
CID 25219274
ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932030
4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide
CID 23740362

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate (CID 3262647) is ethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate is CCOC(=O)CN1CCN(C(=O)Nc2cc(C)c(C)cc2C)CC1.
What is the InChIKey of ethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate?
The InChIKey is FLSSBESIEGXWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-5-24-17(22)12-20-6-8-21(9-7-20)18(23)19-16-11-14(3)13(2)10-15(16)4/h10-11H,5-9,12H2,1-4H3,(H,19,23).
What are the key properties of ethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate?
ethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate has a molecular weight of 333.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2,4,5-trimethylphenyl)carbamoyl]piperazin-1-yl]acetate is sourced from PubChem (CID 3262647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).