1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone

C18H21NOS — CID 121479072

IUPAC1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone
SMILESO=C(c1cc2ccccc2s1)C1CCCN(CC2CC2)C1
InChIInChI=1S/C18H21NOS/c20-18(17-10-14-4-1-2-6-16(14)21-17)15-5-3-9-19(12-15)11-13-7-8-13/h1-2,4,6,10,13,15H,3,5,7-9,11-12H2
InChIKeyBQLHOXBXFSKKTD-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.21
Rot. Bonds4

About 1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone

1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone (PubChem CID 121479072) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone
PubChem CID121479072
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone
SMILESO=C(c1cc2ccccc2s1)C1CCCN(CC2CC2)C1
InChIInChI=1S/C18H21NOS/c20-18(17-10-14-4-1-2-6-16(14)21-17)15-5-3-9-19(12-15)11-13-7-8-13/h1-2,4,6,10,13,15H,3,5,7-9,11-12H2
InChIKeyBQLHOXBXFSKKTD-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone (CID 121479072) is 1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone is O=C(c1cc2ccccc2s1)C1CCCN(CC2CC2)C1.
What is the InChIKey of 1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone?
The InChIKey is BQLHOXBXFSKKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c20-18(17-10-14-4-1-2-6-16(14)21-17)15-5-3-9-19(12-15)11-13-7-8-13/h1-2,4,6,10,13,15H,3,5,7-9,11-12H2.
What are the key properties of 1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone?
1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone has a molecular weight of 299.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[1-(cyclopropylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 121479072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).