4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide

C14H19N3O3S — CID 155937619

IUPAC4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)CCC(N)=O)CC2)s1
InChIInChI=1S/C14H19N3O3S/c1-10-2-3-11(21-10)14(20)17-8-6-16(7-9-17)13(19)5-4-12(15)18/h2-3H,4-9H2,1H3,(H2,15,18)
InChIKeyZEDPKVRTKJGDPK-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.61
Rot. Bonds4

About 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide

4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide (PubChem CID 155937619) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide
PubChem CID155937619
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)CCC(N)=O)CC2)s1
InChIInChI=1S/C14H19N3O3S/c1-10-2-3-11(21-10)14(20)17-8-6-16(7-9-17)13(19)5-4-12(15)18/h2-3H,4-9H2,1H3,(H2,15,18)
InChIKeyZEDPKVRTKJGDPK-UHFFFAOYSA-N
XLogP0.61
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]octan-1-one
CID 60551588
4-[3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-oxopropyl]benzoic acid
CID 120549555
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
5-(4-bromophenyl)-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 55975598
[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 120847972
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 32532204
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
[4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119301454
4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133442603
[2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2502753
2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone
CID 9117201
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 55975974

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide?
The IUPAC name of 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide (CID 155937619) is 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide is Cc1ccc(C(=O)N2CCN(C(=O)CCC(N)=O)CC2)s1.
What is the InChIKey of 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide?
The InChIKey is ZEDPKVRTKJGDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-2-3-11(21-10)14(20)17-8-6-16(7-9-17)13(19)5-4-12(15)18/h2-3H,4-9H2,1H3,(H2,15,18).
What are the key properties of 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide?
4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide has a molecular weight of 309.39 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 155937619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).