2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide

C15H23N3OS — CID 62842664

IUPAC2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC2CCCc3sccc32)CC1
InChIInChI=1S/C15H23N3OS/c16-15(19)10-18-7-4-11(5-8-18)17-13-2-1-3-14-12(13)6-9-20-14/h6,9,11,13,17H,1-5,7-8,10H2,(H2,16,19)
InChIKeyRMINDLXAHVILNI-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.66
Rot. Bonds4

About 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide

2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide (PubChem CID 62842664) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide
PubChem CID62842664
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC2CCCc3sccc32)CC1
InChIInChI=1S/C15H23N3OS/c16-15(19)10-18-7-4-11(5-8-18)17-13-2-1-3-14-12(13)6-9-20-14/h6,9,11,13,17H,1-5,7-8,10H2,(H2,16,19)
InChIKeyRMINDLXAHVILNI-UHFFFAOYSA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide (CID 62842664) is 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide is NC(=O)CN1CCC(NC2CCCc3sccc32)CC1.
What is the InChIKey of 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide?
The InChIKey is RMINDLXAHVILNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c16-15(19)10-18-7-4-11(5-8-18)17-13-2-1-3-14-12(13)6-9-20-14/h6,9,11,13,17H,1-5,7-8,10H2,(H2,16,19).
What are the key properties of 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide?
2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide has a molecular weight of 293.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 62842664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).