(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane

C13H22N2OS — CID 142296627

IUPAC(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
SMILESCCC.CN1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C10H14N2OS.C3H8/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9;1-3-2/h2-3,8H,4-7H2,1H3;3H2,1-2H3
InChIKeyVSIWMRDTDQJIEB-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.55
Rot. Bonds1

About (4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane

(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane (PubChem CID 142296627) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
PubChem CID142296627
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
SMILESCCC.CN1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C10H14N2OS.C3H8/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9;1-3-2/h2-3,8H,4-7H2,1H3;3H2,1-2H3
InChIKeyVSIWMRDTDQJIEB-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone
CID 6965529
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 79805632
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
(4-butan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;oxalic acid
CID 2880105
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate
CID 108569593
[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110409450

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane?
The IUPAC name of (4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane (CID 142296627) is (4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane.
What is the SMILES notation for (4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane?
The canonical SMILES for (4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane is CCC.CN1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane?
The InChIKey is VSIWMRDTDQJIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS.C3H8/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9;1-3-2/h2-3,8H,4-7H2,1H3;3H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane?
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane has a molecular weight of 254.40 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane is sourced from PubChem (CID 142296627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).