[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C24H26N4OS — CID 90516719

IUPAC[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCN(c2cc(-c3ccccc3)ncn2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C24H26N4OS/c29-23(24(10-4-5-11-24)21-9-6-16-30-21)28-14-12-27(13-15-28)22-17-20(25-18-26-22)19-7-2-1-3-8-19/h1-3,6-9,16-18H,4-5,10-15H2
InChIKeyGMCSRMAKKACNEX-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.37
Rot. Bonds4

About [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 90516719) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID90516719
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC Name[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCN(c2cc(-c3ccccc3)ncn2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C24H26N4OS/c29-23(24(10-4-5-11-24)21-9-6-16-30-21)28-14-12-27(13-15-28)22-17-20(25-18-26-22)19-7-2-1-3-8-19/h1-3,6-9,16-18H,4-5,10-15H2
InChIKeyGMCSRMAKKACNEX-UHFFFAOYSA-N
XLogP4.37
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42390617
(4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 29401178
cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516549
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108736723
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 56764803
piperazin-1-yl-(1-thiophen-2-ylcyclohexyl)methanone
CID 119402420
[(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone
CID 51894500
(4-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516583
2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 56724575
[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 56763974
[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 71873119

Frequently Asked Questions

What is the IUPAC name of [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 90516719) is [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is O=C(N1CCN(c2cc(-c3ccccc3)ncn2)CC1)C1(c2cccs2)CCCC1.
What is the InChIKey of [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is GMCSRMAKKACNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c29-23(24(10-4-5-11-24)21-9-6-16-30-21)28-14-12-27(13-15-28)22-17-20(25-18-26-22)19-7-2-1-3-8-19/h1-3,6-9,16-18H,4-5,10-15H2.
What are the key properties of [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 418.57 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 90516719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).