(3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone

C15H18N2OS — CID 107112793

IUPAC(3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
SMILESCc1cccc2c(N)c(C(=O)N3CCCCC3)sc12
InChIInChI=1S/C15H18N2OS/c1-10-6-5-7-11-12(16)14(19-13(10)11)15(18)17-8-3-2-4-9-17/h5-7H,2-4,8-9,16H2,1H3
InChIKeyYNLWPKZFSOPZOD-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.42
Rot. Bonds1

About (3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone

(3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone (PubChem CID 107112793) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
PubChem CID107112793
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
SMILESCc1cccc2c(N)c(C(=O)N3CCCCC3)sc12
InChIInChI=1S/C15H18N2OS/c1-10-6-5-7-11-12(16)14(19-13(10)11)15(18)17-8-3-2-4-9-17/h5-7H,2-4,8-9,16H2,1H3
InChIKeyYNLWPKZFSOPZOD-UHFFFAOYSA-N
XLogP3.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-7-methyl-1-benzothiophen-2-yl)-(4-methylazepan-1-yl)methanone
CID 107113078
(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
4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one
CID 107112795
(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 107112800
3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide
CID 107112801
3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
CID 107112750
3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112840
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(azepan-1-yl)methanone
CID 81300326
(3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone
CID 1442782
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 23943390
(3-amino-6-bromo-1-benzothiophen-2-yl)-(azepan-1-yl)methanone
CID 114907675

Frequently Asked Questions

What is the IUPAC name of (3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone (CID 107112793) is (3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone is Cc1cccc2c(N)c(C(=O)N3CCCCC3)sc12.
What is the InChIKey of (3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone?
The InChIKey is YNLWPKZFSOPZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-6-5-7-11-12(16)14(19-13(10)11)15(18)17-8-3-2-4-9-17/h5-7H,2-4,8-9,16H2,1H3.
What are the key properties of (3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone?
(3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone has a molecular weight of 274.39 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 107112793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).