oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone

C16H24N2O2S — CID 91660630

IUPACoxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1ccsc1)N1CCN(C(=O)C2CCCOC2)CC1
InChIInChI=1S/C16H24N2O2S/c1-13(15-4-10-21-12-15)17-5-7-18(8-6-17)16(19)14-3-2-9-20-11-14/h4,10,12-14H,2-3,5-9,11H2,1H3
InChIKeyBUPGEOSNFDFYBV-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.38
Rot. Bonds3

About oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone

oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone (PubChem CID 91660630) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
PubChem CID91660630
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Nameoxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1ccsc1)N1CCN(C(=O)C2CCCOC2)CC1
InChIInChI=1S/C16H24N2O2S/c1-13(15-4-10-21-12-15)17-5-7-18(8-6-17)16(19)14-3-2-9-20-11-14/h4,10,12-14H,2-3,5-9,11H2,1H3
InChIKeyBUPGEOSNFDFYBV-UHFFFAOYSA-N
XLogP2.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 86793524
N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308581
2-[4-(oxane-3-carbonyl)piperazin-1-yl]butanethioamide
CID 63340411
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308401
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203
(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99625769
N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide
CID 131960827
2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone
CID 86793513
(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 75508127
1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674
[4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone
CID 110856431

Frequently Asked Questions

What is the IUPAC name of oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone (CID 91660630) is oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone is CC(c1ccsc1)N1CCN(C(=O)C2CCCOC2)CC1.
What is the InChIKey of oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone?
The InChIKey is BUPGEOSNFDFYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-13(15-4-10-21-12-15)17-5-7-18(8-6-17)16(19)14-3-2-9-20-11-14/h4,10,12-14H,2-3,5-9,11H2,1H3.
What are the key properties of oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone?
oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone has a molecular weight of 308.45 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91660630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).