[4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

C21H24N2O3S — CID 1244175

IUPAC[4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)sc1-c1ccccc1
InChIInChI=1S/C21H24N2O3S/c1-15-14-18(27-19(15)16-6-3-2-4-7-16)21(25)23-11-9-22(10-12-23)20(24)17-8-5-13-26-17/h2-4,6-7,14,17H,5,8-13H2,1H3/t17-/m1/s1
InChIKeyIGXRTBWUUVBMNY-QGZVFWFLSA-N
MW384.50 g/mol
LogP3.19
Rot. Bonds3

About [4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 1244175) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is [4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID1244175
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name[4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)sc1-c1ccccc1
InChIInChI=1S/C21H24N2O3S/c1-15-14-18(27-19(15)16-6-3-2-4-7-16)21(25)23-11-9-22(10-12-23)20(24)17-8-5-13-26-17/h2-4,6-7,14,17H,5,8-13H2,1H3/t17-/m1/s1
InChIKeyIGXRTBWUUVBMNY-QGZVFWFLSA-N
XLogP3.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144850
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144873
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-methyl-5-phenylthiophen-2-yl)methanone
CID 135113087
[4-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 1246967
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
[4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86272765
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590
[(2R)-oxolan-2-yl]-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 126454402
oxolan-2-yl-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119074966
[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144884

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 1244175) is [4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)sc1-c1ccccc1.
What is the InChIKey of [4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is IGXRTBWUUVBMNY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15-14-18(27-19(15)16-6-3-2-4-7-16)21(25)23-11-9-22(10-12-23)20(24)17-8-5-13-26-17/h2-4,6-7,14,17H,5,8-13H2,1H3/t17-/m1/s1.
What are the key properties of [4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 384.50 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 1244175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).