(4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone

C20H19N3OS — CID 53036756

IUPAC(4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone
SMILESO=C(c1ccnc(-c2cccs2)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H19N3OS/c24-20(16-8-9-21-18(15-16)19-7-4-14-25-19)23-12-10-22(11-13-23)17-5-2-1-3-6-17/h1-9,14-15H,10-13H2
InChIKeyAGOSAOUVMMZIJP-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.77
Rot. Bonds3

About (4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone

(4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone (PubChem CID 53036756) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone
PubChem CID53036756
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name(4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone
SMILESO=C(c1ccnc(-c2cccs2)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H19N3OS/c24-20(16-8-9-21-18(15-16)19-7-4-14-25-19)23-12-10-22(11-13-23)17-5-2-1-3-6-17/h1-9,14-15H,10-13H2
InChIKeyAGOSAOUVMMZIJP-UHFFFAOYSA-N
XLogP3.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 2496275
(2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 129254431
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
[2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109166097
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
(3,4-dimethoxyphenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 18569372
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone
CID 53010054
4-[4-(2-thiophen-2-ylquinoline-4-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 55720795

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone (CID 53036756) is (4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone is O=C(c1ccnc(-c2cccs2)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone?
The InChIKey is AGOSAOUVMMZIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c24-20(16-8-9-21-18(15-16)19-7-4-14-25-19)23-12-10-22(11-13-23)17-5-2-1-3-6-17/h1-9,14-15H,10-13H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone?
(4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone has a molecular weight of 349.46 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone is sourced from PubChem (CID 53036756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).