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

C21H26N4O — CID 23504823

IUPACN-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CN1CCN(c3ccccn3)CC1)CC2
InChIInChI=1S/C21H26N4O/c1-16(26)23-19-8-7-17-5-6-18(20(17)14-19)15-24-10-12-25(13-11-24)21-4-2-3-9-22-21/h2-4,7-9,14,18H,5-6,10-13,15H2,1H3,(H,23,26)
InChIKeyBDXCDIFYCCHHCI-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.89
Rot. Bonds4

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

N-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide (PubChem CID 23504823) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
PubChem CID23504823
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CN1CCN(c3ccccn3)CC1)CC2
InChIInChI=1S/C21H26N4O/c1-16(26)23-19-8-7-17-5-6-18(20(17)14-19)15-24-10-12-25(13-11-24)21-4-2-3-9-22-21/h2-4,7-9,14,18H,5-6,10-13,15H2,1H3,(H,23,26)
InChIKeyBDXCDIFYCCHHCI-UHFFFAOYSA-N
XLogP2.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The IUPAC name of N-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide (CID 23504823) is N-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide.
What is the SMILES notation for N-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The canonical SMILES for N-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)C(CN1CCN(c3ccccn3)CC1)CC2.
What is the InChIKey of N-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The InChIKey is BDXCDIFYCCHHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16(26)23-19-8-7-17-5-6-18(20(17)14-19)15-24-10-12-25(13-11-24)21-4-2-3-9-22-21/h2-4,7-9,14,18H,5-6,10-13,15H2,1H3,(H,23,26).
What are the key properties of N-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
N-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide has a molecular weight of 350.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide is sourced from PubChem (CID 23504823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).