2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone

C21H24N2O3 — CID 118485492

IUPAC2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone
SMILESO=C(CNc1cccc(O)c1)c1ccccc1C(=O)CN1CCCCC1
InChIInChI=1S/C21H24N2O3/c24-17-8-6-7-16(13-17)22-14-20(25)18-9-2-3-10-19(18)21(26)15-23-11-4-1-5-12-23/h2-3,6-10,13,22,24H,1,4-5,11-12,14-15H2
InChIKeyAOPYCSKZDSDBSU-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.36
Rot. Bonds7

About 2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone

2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone (PubChem CID 118485492) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone
PubChem CID118485492
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone
SMILESO=C(CNc1cccc(O)c1)c1ccccc1C(=O)CN1CCCCC1
InChIInChI=1S/C21H24N2O3/c24-17-8-6-7-16(13-17)22-14-20(25)18-9-2-3-10-19(18)21(26)15-23-11-4-1-5-12-23/h2-3,6-10,13,22,24H,1,4-5,11-12,14-15H2
InChIKeyAOPYCSKZDSDBSU-UHFFFAOYSA-N
XLogP3.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone
CID 118485437
1-(6,7-dihydroxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 70553350
2-(3-hydroxyanilino)acetohydrazide
CID 132888164
1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one
CID 141149374
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
2-(azepan-1-yl)-1-(2,5-dichlorophenyl)ethanone
CID 43227244
N-formyl-2-(3-hydroxyanilino)acetamide
CID 22630304
2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid
CID 86575516
2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61240014
3-(2-pyrrolidin-1-ylacetyl)benzoic acid
CID 115039403
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135
ethyl 2-(3-hydroxyanilino)acetate
CID 22630327

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone?
The IUPAC name of 2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone (CID 118485492) is 2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone.
What is the SMILES notation for 2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone?
The canonical SMILES for 2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone is O=C(CNc1cccc(O)c1)c1ccccc1C(=O)CN1CCCCC1.
What is the InChIKey of 2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone?
The InChIKey is AOPYCSKZDSDBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-17-8-6-7-16(13-17)22-14-20(25)18-9-2-3-10-19(18)21(26)15-23-11-4-1-5-12-23/h2-3,6-10,13,22,24H,1,4-5,11-12,14-15H2.
What are the key properties of 2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone?
2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone has a molecular weight of 352.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyanilino)-1-[2-(2-piperidin-1-ylacetyl)phenyl]ethanone is sourced from PubChem (CID 118485492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).