4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one

C14H15N3O2S — CID 107112795

IUPAC4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one
SMILESCc1cccc2c(N)c(C(=O)N3CCNC(=O)C3)sc12
InChIInChI=1S/C14H15N3O2S/c1-8-3-2-4-9-11(15)13(20-12(8)9)14(19)17-6-5-16-10(18)7-17/h2-4H,5-7,15H2,1H3,(H,16,18)
InChIKeyGFQPZMGNMKVXMT-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.36
Rot. Bonds1

About 4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one

4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one (PubChem CID 107112795) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one
PubChem CID107112795
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one
SMILESCc1cccc2c(N)c(C(=O)N3CCNC(=O)C3)sc12
InChIInChI=1S/C14H15N3O2S/c1-8-3-2-4-9-11(15)13(20-12(8)9)14(19)17-6-5-16-10(18)7-17/h2-4H,5-7,15H2,1H3,(H,16,18)
InChIKeyGFQPZMGNMKVXMT-UHFFFAOYSA-N
XLogP1.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 107112793
(3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 107112894
(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 107113136
(3-amino-7-methyl-1-benzothiophen-2-yl)-(4-methylazepan-1-yl)methanone
CID 107113078
4-(3-aminothiophene-2-carbonyl)piperazin-2-one
CID 61090174
4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
CID 113258340
4-(3-fluoro-2-methylbenzoyl)piperazin-2-one
CID 121419784
4-(3-methyl-2-nitrobenzoyl)piperazin-2-one
CID 31094939
4-(2-amino-6-methoxybenzoyl)piperazin-2-one
CID 81410266
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
4-(2-amino-5-methylbenzoyl)piperazin-2-one
CID 62510710
4-(6-aminopyridine-2-carbonyl)piperazin-2-one;hydrochloride
CID 119998920

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one?
The IUPAC name of 4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one (CID 107112795) is 4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one is Cc1cccc2c(N)c(C(=O)N3CCNC(=O)C3)sc12.
What is the InChIKey of 4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one?
The InChIKey is GFQPZMGNMKVXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-8-3-2-4-9-11(15)13(20-12(8)9)14(19)17-6-5-16-10(18)7-17/h2-4H,5-7,15H2,1H3,(H,16,18).
What are the key properties of 4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one?
4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one has a molecular weight of 289.36 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 107112795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).