phenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate

C20H25N3O3 — CID 110658683

IUPACphenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate
SMILESCc1cc(C(=O)CN2CCN(C(=O)Oc3ccccc3)CC2)c(C)n1C
InChIInChI=1S/C20H25N3O3/c1-15-13-18(16(2)21(15)3)19(24)14-22-9-11-23(12-10-22)20(25)26-17-7-5-4-6-8-17/h4-8,13H,9-12,14H2,1-3H3
InChIKeyKLGAOQIUKDKNTM-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.64
Rot. Bonds4

About phenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate

phenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate (PubChem CID 110658683) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is phenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate
PubChem CID110658683
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Namephenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate
SMILESCc1cc(C(=O)CN2CCN(C(=O)Oc3ccccc3)CC2)c(C)n1C
InChIInChI=1S/C20H25N3O3/c1-15-13-18(16(2)21(15)3)19(24)14-22-9-11-23(12-10-22)20(25)26-17-7-5-4-6-8-17/h4-8,13H,9-12,14H2,1-3H3
InChIKeyKLGAOQIUKDKNTM-UHFFFAOYSA-N
XLogP2.64
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl 4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110366545
phenyl 4-[2-(4-methylphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110366380
phenyl 4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]-1,4-diazepane-1-carboxylate
CID 110809201
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 2464194
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 8692265
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110658667
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 8693841
benzyl 4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 110659115
2-(4-aminopiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62030350
N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide
CID 110658659
2-[4-(methoxymethyl)piperidin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63972915
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 26575757

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of phenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate (CID 110658683) is phenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate is Cc1cc(C(=O)CN2CCN(C(=O)Oc3ccccc3)CC2)c(C)n1C.
What is the InChIKey of phenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is KLGAOQIUKDKNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-13-18(16(2)21(15)3)19(24)14-22-9-11-23(12-10-22)20(25)26-17-7-5-4-6-8-17/h4-8,13H,9-12,14H2,1-3H3.
What are the key properties of phenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate?
phenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 110658683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).