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

C22H26ClN3O — CID 23504826

IUPACN-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CN1CCN(c3ccc(Cl)cc3)CC1)CC2
InChIInChI=1S/C22H26ClN3O/c1-16(27)24-20-7-4-17-2-3-18(22(17)14-20)15-25-10-12-26(13-11-25)21-8-5-19(23)6-9-21/h4-9,14,18H,2-3,10-13,15H2,1H3,(H,24,27)
InChIKeyDANFDXJDCPXUCA-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.15
Rot. Bonds4

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

N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide (PubChem CID 23504826) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
PubChem CID23504826
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC NameN-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CN1CCN(c3ccc(Cl)cc3)CC1)CC2
InChIInChI=1S/C22H26ClN3O/c1-16(27)24-20-7-4-17-2-3-18(22(17)14-20)15-25-10-12-26(13-11-25)21-8-5-19(23)6-9-21/h4-9,14,18H,2-3,10-13,15H2,1H3,(H,24,27)
InChIKeyDANFDXJDCPXUCA-UHFFFAOYSA-N
XLogP4.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 23504823
N-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 23504859
N-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 23504889
N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 23504860
3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine
CID 23504798
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
N-[4-(4-hydroxypiperidin-1-yl)phenyl]acetamide
CID 57253854
N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide
CID 6939888
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea
CID 1258258
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The IUPAC name of N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide (CID 23504826) is N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide.
What is the SMILES notation for N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The canonical SMILES for N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)C(CN1CCN(c3ccc(Cl)cc3)CC1)CC2.
What is the InChIKey of N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The InChIKey is DANFDXJDCPXUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-16(27)24-20-7-4-17-2-3-18(22(17)14-20)15-25-10-12-26(13-11-25)21-8-5-19(23)6-9-21/h4-9,14,18H,2-3,10-13,15H2,1H3,(H,24,27).
What are the key properties of N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide has a molecular weight of 383.92 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide is sourced from PubChem (CID 23504826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).