benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate

C19H22N2O3S — CID 110818649

IUPACbenzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate
SMILESO=C(CCc1cccs1)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H22N2O3S/c22-18(9-8-17-7-4-14-25-17)20-10-12-21(13-11-20)19(23)24-15-16-5-2-1-3-6-16/h1-7,14H,8-13,15H2
InChIKeyXRESERVIFUWNLH-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.16
Rot. Bonds5

About benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate

benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate (PubChem CID 110818649) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate
PubChem CID110818649
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Namebenzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate
SMILESO=C(CCc1cccs1)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H22N2O3S/c22-18(9-8-17-7-4-14-25-17)20-10-12-21(13-11-20)19(23)24-15-16-5-2-1-3-6-16/h1-7,14H,8-13,15H2
InChIKeyXRESERVIFUWNLH-UHFFFAOYSA-N
XLogP3.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
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benzyl aziridine-1-carboxylate;silane
CID 158496499
ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate
CID 110297724
3-(3-fluorophenyl)-1-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]propan-1-one
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3-(3-chlorophenyl)-1-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110422057
1-(4-benzylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 78774501
1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110638111
1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea
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1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
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benzyl 1,3-thiazolidine-3-carboxylate
CID 139958620

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate (CID 110818649) is benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate is O=C(CCc1cccs1)N1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate?
The InChIKey is XRESERVIFUWNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-18(9-8-17-7-4-14-25-17)20-10-12-21(13-11-20)19(23)24-15-16-5-2-1-3-6-16/h1-7,14H,8-13,15H2.
What are the key properties of benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate?
benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate has a molecular weight of 358.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 110818649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).