ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate

C15H23N3O3 — CID 110700700

IUPACethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2cccn2C)CC1
InChIInChI=1S/C15H23N3O3/c1-3-21-15(20)18-11-9-17(10-12-18)14(19)7-6-13-5-4-8-16(13)2/h4-5,8H,3,6-7,9-12H2,1-2H3
InChIKeyVFIGVFQKYPLXJK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.26
Rot. Bonds4

About ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate

ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate (PubChem CID 110700700) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate
PubChem CID110700700
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2cccn2C)CC1
InChIInChI=1S/C15H23N3O3/c1-3-21-15(20)18-11-9-17(10-12-18)14(19)7-6-13-5-4-8-16(13)2/h4-5,8H,3,6-7,9-12H2,1-2H3
InChIKeyVFIGVFQKYPLXJK-UHFFFAOYSA-N
XLogP1.26
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-methylphenyl)piperazin-1-yl]-3-(1-methylpyrrol-2-yl)propan-1-one
CID 110700701
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 41455579
ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate
CID 46343129
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199
3-(1-methylpyrrol-2-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 118789724
ethyl 4-[(1-methylpyrrol-2-yl)methylamino]-4-oxobutanoate
CID 103713412
2-amino-4-[4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136998462
1-[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470622
ethyl 4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepane-1-carboxylate
CID 110799154
N-butyl-3-(1-methylpyrrol-2-yl)propanamide
CID 110700635
ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate
CID 110679013

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate (CID 110700700) is ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCc2cccn2C)CC1.
What is the InChIKey of ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate?
The InChIKey is VFIGVFQKYPLXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-21-15(20)18-11-9-17(10-12-18)14(19)7-6-13-5-4-8-16(13)2/h4-5,8H,3,6-7,9-12H2,1-2H3.
What are the key properties of ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 110700700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).