(3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone

C18H18N4OS — CID 166300650

IUPAC(3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone
SMILESNC1CCCN(C(=O)c2cnc(-c3ccc4sccc4c3)cn2)C1
InChIInChI=1S/C18H18N4OS/c19-14-2-1-6-22(11-14)18(23)16-10-20-15(9-21-16)12-3-4-17-13(8-12)5-7-24-17/h3-5,7-10,14H,1-2,6,11,19H2
InChIKeyBICCJLSQJZQFEZ-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.92
Rot. Bonds2

About (3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone

(3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone (PubChem CID 166300650) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone
PubChem CID166300650
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name(3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone
SMILESNC1CCCN(C(=O)c2cnc(-c3ccc4sccc4c3)cn2)C1
InChIInChI=1S/C18H18N4OS/c19-14-2-1-6-22(11-14)18(23)16-10-20-15(9-21-16)12-3-4-17-13(8-12)5-7-24-17/h3-5,7-10,14H,1-2,6,11,19H2
InChIKeyBICCJLSQJZQFEZ-UHFFFAOYSA-N
XLogP2.92
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529
(3-aminopiperidin-1-yl)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone
CID 129186656
[(3S)-3-aminopiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 129371396
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
(5-methylpyrazin-2-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845298
(3-aminopiperidin-1-yl)-[5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrazin-2-yl]methanone
CID 166300354
(3-aminopiperidin-1-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 119381129
(3-aminopiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119378378
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482
(3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 119380053
5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
CID 62067809

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone (CID 166300650) is (3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone is NC1CCCN(C(=O)c2cnc(-c3ccc4sccc4c3)cn2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone?
The InChIKey is BICCJLSQJZQFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c19-14-2-1-6-22(11-14)18(23)16-10-20-15(9-21-16)12-3-4-17-13(8-12)5-7-24-17/h3-5,7-10,14H,1-2,6,11,19H2.
What are the key properties of (3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone?
(3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone has a molecular weight of 338.44 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[5-(1-benzothiophen-5-yl)pyrazin-2-yl]methanone is sourced from PubChem (CID 166300650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).