4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride

C22H25ClN2O2 — CID 88722000

IUPAC4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride
SMILESCC(NC(=O)Cc1ccc(C(=O)Cl)cc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C22H25ClN2O2/c1-16(19-7-3-4-8-20(19)25-13-5-2-6-14-25)24-21(26)15-17-9-11-18(12-10-17)22(23)27/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,24,26)
InChIKeyBSENSRQANFIZLL-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.48
Rot. Bonds6

About 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride

4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride (PubChem CID 88722000) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride.

Molecular Properties

Compound Name4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride
PubChem CID88722000
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride
SMILESCC(NC(=O)Cc1ccc(C(=O)Cl)cc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C22H25ClN2O2/c1-16(19-7-3-4-8-20(19)25-13-5-2-6-14-25)24-21(26)15-17-9-11-18(12-10-17)22(23)27/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,24,26)
InChIKeyBSENSRQANFIZLL-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-[1-[2-(azonan-1-yl)phenyl]ethylamino]-2-oxoethyl]benzoic acid
CID 10501610
4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzamide
CID 54161332
ethyl 4-[2-[1-[2-(azepan-1-yl)phenyl]ethylamino]-2-oxoethyl]benzoate
CID 10549439
N-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 10621090
3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid
CID 10595062
2-methyl-2-[4-[2-oxo-2-[[(1S)-1-(2-piperidin-1-ylphenyl)ethyl]amino]ethyl]phenoxy]propanoic acid
CID 58625212
methyl 4-[2-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylamino]-2-oxoethyl]benzoate
CID 11798080
2-(4-hydroxyphenyl)-N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]acetamide
CID 97225853
4-[2-[[cyclohexyl-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 10812749
4-[2-[[(4-methoxyphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 13281042
2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid
CID 54544553
ethyl 4-[2-oxo-2-[1-(5-phenylmethoxy-2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoate
CID 70418244

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride?
The IUPAC name of 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride (CID 88722000) is 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride.
What is the SMILES notation for 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride?
The canonical SMILES for 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride is CC(NC(=O)Cc1ccc(C(=O)Cl)cc1)c1ccccc1N1CCCCC1.
What is the InChIKey of 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride?
The InChIKey is BSENSRQANFIZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-16(19-7-3-4-8-20(19)25-13-5-2-6-14-25)24-21(26)15-17-9-11-18(12-10-17)22(23)27/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,24,26).
What are the key properties of 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride?
4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride has a molecular weight of 384.91 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride is sourced from PubChem (CID 88722000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).