piperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone

C17H20N2OS — CID 14925510

IUPACpiperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone
SMILESO=C([C@H]1Cc2c(sc3ccccc23)CN1)N1CCCCC1
InChIInChI=1S/C17H20N2OS/c20-17(19-8-4-1-5-9-19)14-10-13-12-6-2-3-7-15(12)21-16(13)11-18-14/h2-3,6-7,14,18H,1,4-5,8-11H2/t14-/m1/s1
InChIKeyPOLMBXZQAGKHEK-CQSZACIVSA-N
MW300.43 g/mol
LogP2.93
Rot. Bonds1

About piperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone

piperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone (PubChem CID 14925510) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is piperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone
PubChem CID14925510
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Namepiperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone
SMILESO=C([C@H]1Cc2c(sc3ccccc23)CN1)N1CCCCC1
InChIInChI=1S/C17H20N2OS/c20-17(19-8-4-1-5-9-19)14-10-13-12-6-2-3-7-15(12)21-16(13)11-18-14/h2-3,6-7,14,18H,1,4-5,8-11H2/t14-/m1/s1
InChIKeyPOLMBXZQAGKHEK-CQSZACIVSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone?
The IUPAC name of piperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone (CID 14925510) is piperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone?
The canonical SMILES for piperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone is O=C([C@H]1Cc2c(sc3ccccc23)CN1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone?
The InChIKey is POLMBXZQAGKHEK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-17(19-8-4-1-5-9-19)14-10-13-12-6-2-3-7-15(12)21-16(13)11-18-14/h2-3,6-7,14,18H,1,4-5,8-11H2/t14-/m1/s1.
What are the key properties of piperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone?
piperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone has a molecular weight of 300.43 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone is sourced from PubChem (CID 14925510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).