ethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate

C19H29N3O3 — CID 71708203

IUPACethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC2(n3cccc3)CCCCC2)CC1
InChIInChI=1S/C19H29N3O3/c1-2-25-18(24)21-14-12-20(13-15-21)17(23)16-19(8-4-3-5-9-19)22-10-6-7-11-22/h6-7,10-11H,2-5,8-9,12-16H2,1H3
InChIKeyGWEZWCGHOFMCNJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.84
Rot. Bonds4

About ethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate (PubChem CID 71708203) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate
PubChem CID71708203
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC2(n3cccc3)CCCCC2)CC1
InChIInChI=1S/C19H29N3O3/c1-2-25-18(24)21-14-12-20(13-15-21)17(23)16-19(8-4-3-5-9-19)22-10-6-7-11-22/h6-7,10-11H,2-5,8-9,12-16H2,1H3
InChIKeyGWEZWCGHOFMCNJ-UHFFFAOYSA-N
XLogP2.84
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46343129
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ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-[(3R)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanoyl]piperazine-1-carboxylate
CID 92709290
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate
CID 175064329
ethyl 4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate
CID 91639709
1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
CID 64683862
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
ethyl 4-(3-methoxy-3-oxopropanoyl)piperazine-1-carboxylate
CID 94692085
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl 4-[3-oxo-3-(propan-2-ylamino)propanoyl]piperazine-1-carboxylate
CID 108940832

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate (CID 71708203) is ethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CC2(n3cccc3)CCCCC2)CC1.
What is the InChIKey of ethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate?
The InChIKey is GWEZWCGHOFMCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-2-25-18(24)21-14-12-20(13-15-21)17(23)16-19(8-4-3-5-9-19)22-10-6-7-11-22/h6-7,10-11H,2-5,8-9,12-16H2,1H3.
What are the key properties of ethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 71708203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).