ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate

C14H21N3O3 — CID 46343129

IUPACethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCn2cccc2)CC1
InChIInChI=1S/C14H21N3O3/c1-2-20-14(19)17-11-9-16(10-12-17)13(18)5-8-15-6-3-4-7-15/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyBIRZRYKVFHENKW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.18
Rot. Bonds4

About ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate

ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate (PubChem CID 46343129) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate
PubChem CID46343129
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCn2cccc2)CC1
InChIInChI=1S/C14H21N3O3/c1-2-20-14(19)17-11-9-16(10-12-17)13(18)5-8-15-6-3-4-7-15/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyBIRZRYKVFHENKW-UHFFFAOYSA-N
XLogP1.18
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110700700
1-[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470622
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 4-[(3R)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanoyl]piperazine-1-carboxylate
CID 92709290
ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 41455579
ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate
CID 110679013
ethyl 4-[2-(1-pyrrol-1-ylcyclohexyl)acetyl]piperazine-1-carboxylate
CID 71708203
ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate
CID 99623799
bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate
CID 175064329
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
ethyl 4-(3-methoxy-3-oxopropanoyl)piperazine-1-carboxylate
CID 94692085

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate (CID 46343129) is ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCn2cccc2)CC1.
What is the InChIKey of ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate?
The InChIKey is BIRZRYKVFHENKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-20-14(19)17-11-9-16(10-12-17)13(18)5-8-15-6-3-4-7-15/h3-4,6-7H,2,5,8-12H2,1H3.
What are the key properties of ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate?
ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 46343129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).