N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide

C20H24N2OS — CID 24817548

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCCN(C2Cc3ccccc3C2)C1)c1cccs1
InChIInChI=1S/C20H24N2OS/c23-20(19-8-4-10-24-19)21-13-15-5-3-9-22(14-15)18-11-16-6-1-2-7-17(16)12-18/h1-2,4,6-8,10,15,18H,3,5,9,11-14H2,(H,21,23)
InChIKeyXJNQGBIUDRSYCA-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.36
Rot. Bonds4

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 24817548) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID24817548
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCCN(C2Cc3ccccc3C2)C1)c1cccs1
InChIInChI=1S/C20H24N2OS/c23-20(19-8-4-10-24-19)21-13-15-5-3-9-22(14-15)18-11-16-6-1-2-7-17(16)12-18/h1-2,4,6-8,10,15,18H,3,5,9,11-14H2,(H,21,23)
InChIKeyXJNQGBIUDRSYCA-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide (CID 24817548) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide is O=C(NCC1CCCN(C2Cc3ccccc3C2)C1)c1cccs1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is XJNQGBIUDRSYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c23-20(19-8-4-10-24-19)21-13-15-5-3-9-22(14-15)18-11-16-6-1-2-7-17(16)12-18/h1-2,4,6-8,10,15,18H,3,5,9,11-14H2,(H,21,23).
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 24817548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).