N-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide

C21H26N2OS — CID 23504875

IUPACN-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CN1CCC(c3cccs3)CC1)CC2
InChIInChI=1S/C21H26N2OS/c1-15(24)22-19-7-6-16-4-5-18(20(16)13-19)14-23-10-8-17(9-11-23)21-3-2-12-25-21/h2-3,6-7,12-13,17-18H,4-5,8-11,14H2,1H3,(H,22,24)
InChIKeyDRDWCFCDWBSVDQ-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.62
Rot. Bonds4

About N-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide

N-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide (PubChem CID 23504875) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
PubChem CID23504875
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC NameN-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CN1CCC(c3cccs3)CC1)CC2
InChIInChI=1S/C21H26N2OS/c1-15(24)22-19-7-6-16-4-5-18(20(16)13-19)14-23-10-8-17(9-11-23)21-3-2-12-25-21/h2-3,6-7,12-13,17-18H,4-5,8-11,14H2,1H3,(H,22,24)
InChIKeyDRDWCFCDWBSVDQ-UHFFFAOYSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The IUPAC name of N-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide (CID 23504875) is N-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide.
What is the SMILES notation for N-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The canonical SMILES for N-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)C(CN1CCC(c3cccs3)CC1)CC2.
What is the InChIKey of N-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The InChIKey is DRDWCFCDWBSVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-15(24)22-19-7-6-16-4-5-18(20(16)13-19)14-23-10-8-17(9-11-23)21-3-2-12-25-21/h2-3,6-7,12-13,17-18H,4-5,8-11,14H2,1H3,(H,22,24).
What are the key properties of N-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
N-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide has a molecular weight of 354.52 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide is sourced from PubChem (CID 23504875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).