2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide

C21H25ClN2O — CID 100633286

IUPAC2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O/c1-16(23-21(25)15-18-7-3-4-8-20(18)22)17-9-11-19(12-10-17)24-13-5-2-6-14-24/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyOIDBEAGIRPTXGN-INIZCTEOSA-N
MW356.90 g/mol
LogP4.75
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide

2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide (PubChem CID 100633286) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide
PubChem CID100633286
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O/c1-16(23-21(25)15-18-7-3-4-8-20(18)22)17-9-11-19(12-10-17)24-13-5-2-6-14-24/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyOIDBEAGIRPTXGN-INIZCTEOSA-N
XLogP4.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[2-oxo-2-[1-(4-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid
CID 10570930
2-(2-chlorophenyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 27758673
1-(2-chlorophenyl)-3-[1-(4-piperidin-1-ylphenyl)ethyl]thiourea
CID 133154958
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 100736246
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110648111
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43892124
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109020180
2-(2-chlorophenyl)-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 37172997
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide
CID 113177113
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43899258
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22194707
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide (CID 100633286) is 2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide is C[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
The InChIKey is OIDBEAGIRPTXGN-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-16(23-21(25)15-18-7-3-4-8-20(18)22)17-9-11-19(12-10-17)24-13-5-2-6-14-24/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide has a molecular weight of 356.90 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 100633286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).