[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone

C15H23N3OS — CID 119930739

IUPAC[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C15H23N3OS/c19-15(14-3-10-20-12-14)18-8-6-17(7-9-18)11-13-1-4-16-5-2-13/h3,10,12-13,16H,1-2,4-9,11H2
InChIKeyZUXFOXLWJWSRAH-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.51
Rot. Bonds3

About [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone

[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 119930739) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID119930739
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C15H23N3OS/c19-15(14-3-10-20-12-14)18-8-6-17(7-9-18)11-13-1-4-16-5-2-13/h3,10,12-13,16H,1-2,4-9,11H2
InChIKeyZUXFOXLWJWSRAH-UHFFFAOYSA-N
XLogP1.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(piperidin-4-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 119930706
(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931058
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930485
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930484
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349
(2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931000
[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
CID 119932470
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 43422291
[(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119298898
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740

Frequently Asked Questions

What is the IUPAC name of [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone (CID 119930739) is [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCN(CC2CCNCC2)CC1.
What is the InChIKey of [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is ZUXFOXLWJWSRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c19-15(14-3-10-20-12-14)18-8-6-17(7-9-18)11-13-1-4-16-5-2-13/h3,10,12-13,16H,1-2,4-9,11H2.
What are the key properties of [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone?
[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 293.44 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 119930739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).