(4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone

C11H16N2OS — CID 17250257

IUPAC(4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)cs1
InChIInChI=1S/C11H16N2OS/c1-9-7-10(8-15-9)11(14)13-5-3-12(2)4-6-13/h7-8H,3-6H2,1-2H3
InChIKeySXUGOFSFLSCLEM-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.44
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone

(4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone (PubChem CID 17250257) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone
PubChem CID17250257
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)cs1
InChIInChI=1S/C11H16N2OS/c1-9-7-10(8-15-9)11(14)13-5-3-12(2)4-6-13/h7-8H,3-6H2,1-2H3
InChIKeySXUGOFSFLSCLEM-UHFFFAOYSA-N
XLogP1.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide
CID 2813034
N1-methyl-N4-[5-(thien-2-yl)-thien-2-oyl)piperazine
CID 2814290
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
(4-Ethyl-5-methylthiophen-3-yl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 6466910
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
1-(1-Piperidinylsulfonyl)-4-(2-thienylcarbonyl)piperazine
CID 1258912
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylthiophen-3-yl)-methanone
CID 11544608

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone (CID 17250257) is (4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)N2CCN(C)CC2)cs1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is SXUGOFSFLSCLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-9-7-10(8-15-9)11(14)13-5-3-12(2)4-6-13/h7-8H,3-6H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone?
(4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 224.33 g/mol, XLogP of 1.44, 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)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 17250257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).