(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone

C15H16N2OS — CID 110695891

IUPAC(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H16N2OS/c18-15(13-6-11-19-12-13)17-9-7-16(8-10-17)14-4-2-1-3-5-14/h1-6,11-12H,7-10H2
InChIKeyVEUVYURBVHSFFR-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.71
Rot. Bonds2

About (4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone

(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone (PubChem CID 110695891) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
PubChem CID110695891
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H16N2OS/c18-15(13-6-11-19-12-13)17-9-7-16(8-10-17)14-4-2-1-3-5-14/h1-6,11-12H,7-10H2
InChIKeyVEUVYURBVHSFFR-UHFFFAOYSA-N
XLogP2.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 17418431
[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 18111082
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
CID 54873741
4-oxo-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]butanoic acid
CID 60948619
[4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 47089961
2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 103514904
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740
4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181949
[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 60656601

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone (CID 110695891) is (4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone?
The InChIKey is VEUVYURBVHSFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15(13-6-11-19-12-13)17-9-7-16(8-10-17)14-4-2-1-3-5-14/h1-6,11-12H,7-10H2.
What are the key properties of (4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone?
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone has a molecular weight of 272.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 110695891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).