ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate

C16H24N2O3S — CID 110297724

IUPACethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCCCc2cccs2)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-21-16(20)18-11-9-17(10-12-18)15(19)8-4-3-6-14-7-5-13-22-14/h5,7,13H,2-4,6,8-12H2,1H3
InChIKeyDYFPSJRCRVWVLV-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.76
Rot. Bonds6

About ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate

ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate (PubChem CID 110297724) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate
PubChem CID110297724
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Nameethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCCCc2cccs2)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-21-16(20)18-11-9-17(10-12-18)15(19)8-4-3-6-14-7-5-13-22-14/h5,7,13H,2-4,6,8-12H2,1H3
InChIKeyDYFPSJRCRVWVLV-UHFFFAOYSA-N
XLogP2.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110617956
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110420377
benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate
CID 110818649
1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110420641
ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate
CID 51681583
1-(4-hydroxy-4-methylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 80706917
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 78769597
ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110335223
4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid
CID 63124753
1-[3-(aminomethyl)pyrrolidin-1-yl]-6-thiophen-2-ylhexan-1-one
CID 119484105
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one
CID 119622425
1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110665574

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate (CID 110297724) is ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCCCc2cccs2)CC1.
What is the InChIKey of ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate?
The InChIKey is DYFPSJRCRVWVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-21-16(20)18-11-9-17(10-12-18)15(19)8-4-3-6-14-7-5-13-22-14/h5,7,13H,2-4,6,8-12H2,1H3.
What are the key properties of ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate?
ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 110297724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).