3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one

C14H20N2O2S — CID 787273

IUPAC3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H20N2O2S/c1-11(2)10-13(17)15-5-7-16(8-6-15)14(18)12-4-3-9-19-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyXKZPBYKVTNEHTI-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.08
Rot. Bonds3

About 3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one

3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 787273) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID787273
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H20N2O2S/c1-11(2)10-13(17)15-5-7-16(8-6-15)14(18)12-4-3-9-19-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyXKZPBYKVTNEHTI-UHFFFAOYSA-N
XLogP2.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-(4-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide
CID 829315
tert-butyl N-{2-[(2-thienylcarbonyl)amino]ethyl}carbamate
CID 2796306
tert-butyl 4-{[(2-thienylcarbonyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810469
4-Piperidyl-1-(2-thienylcarbonyl)piperidine-4-carboxamide
CID 687901
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
Thiophene-2-carboxylic acid, morpholide
CID 531921
N1-methyl-N4-[5-(thien-2-yl)-thien-2-oyl)piperazine
CID 2814290
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
Thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4779966
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 16389189

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one (CID 787273) is 3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one is CC(C)CC(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is XKZPBYKVTNEHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11(2)10-13(17)15-5-7-16(8-6-15)14(18)12-4-3-9-19-12/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 280.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 787273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).