1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone

C24H34N4OS — CID 176882445

IUPAC1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESCc1ccsc1CN1CCN(C(=O)CN2CCN(CCc3ccccc3)CC2)CC1
InChIInChI=1S/C24H34N4OS/c1-21-8-18-30-23(21)19-26-14-16-28(17-15-26)24(29)20-27-12-10-25(11-13-27)9-7-22-5-3-2-4-6-22/h2-6,8,18H,7,9-17,19-20H2,1H3
InChIKeyPWOKOEYTBOIBEZ-UHFFFAOYSA-N
MW426.63 g/mol
LogP2.56
Rot. Bonds7

About 1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone

1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone (PubChem CID 176882445) has the molecular formula C24H34N4OS and a molecular weight of 426.63 g/mol. Its IUPAC name is 1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
PubChem CID176882445
Molecular FormulaC24H34N4OS
Molecular Weight426.63 g/mol
Exact Mass426.25
IUPAC Name1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESCc1ccsc1CN1CCN(C(=O)CN2CCN(CCc3ccccc3)CC2)CC1
InChIInChI=1S/C24H34N4OS/c1-21-8-18-30-23(21)19-26-14-16-28(17-15-26)24(29)20-27-12-10-25(11-13-27)9-7-22-5-3-2-4-6-22/h2-6,8,18H,7,9-17,19-20H2,1H3
InChIKeyPWOKOEYTBOIBEZ-UHFFFAOYSA-N
XLogP2.56
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 134032072
2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 17145715
2-[4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]-N-phenylacetamide
CID 3418350
1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 170962162
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
2-[4-[2-(benzylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 42876781
1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 47014088
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
2-[4-[2-(4-benzylpiperazin-1-yl)ethyl]phenyl]-1-thiomorpholin-4-ylethanone;dihydrochloride
CID 70468668
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 136543370

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone (CID 176882445) is 1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone is Cc1ccsc1CN1CCN(C(=O)CN2CCN(CCc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The InChIKey is PWOKOEYTBOIBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4OS/c1-21-8-18-30-23(21)19-26-14-16-28(17-15-26)24(29)20-27-12-10-25(11-13-27)9-7-22-5-3-2-4-6-22/h2-6,8,18H,7,9-17,19-20H2,1H3.
What are the key properties of 1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone has a molecular weight of 426.63 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 176882445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).