N-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide

C22H26ClN3O3 — CID 166384167

IUPACN-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide
SMILESCCN(C(=O)Cc1cccc(O)c1)C1CCN(C(=O)Cc2ccc(Cl)nc2)CC1
InChIInChI=1S/C22H26ClN3O3/c1-2-26(22(29)13-16-4-3-5-19(27)12-16)18-8-10-25(11-9-18)21(28)14-17-6-7-20(23)24-15-17/h3-7,12,15,18,27H,2,8-11,13-14H2,1H3
InChIKeyZNZSUZGOPNBQNL-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.07
Rot. Bonds6

About N-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide

N-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide (PubChem CID 166384167) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide
PubChem CID166384167
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC NameN-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide
SMILESCCN(C(=O)Cc1cccc(O)c1)C1CCN(C(=O)Cc2ccc(Cl)nc2)CC1
InChIInChI=1S/C22H26ClN3O3/c1-2-26(22(29)13-16-4-3-5-19(27)12-16)18-8-10-25(11-9-18)21(28)14-17-6-7-20(23)24-15-17/h3-7,12,15,18,27H,2,8-11,13-14H2,1H3
InChIKeyZNZSUZGOPNBQNL-UHFFFAOYSA-N
XLogP3.07
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(bromomethyl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80677823
2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 84584772
N-benzyl-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 71935827
3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 111434936
1-[(5R)-5-hydroxy-3,3-dimethylazepan-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 125144727
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide
CID 61399968
N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 80678119
2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61399745
1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399740
3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63145264
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 61400367

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide (CID 166384167) is N-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide is CCN(C(=O)Cc1cccc(O)c1)C1CCN(C(=O)Cc2ccc(Cl)nc2)CC1.
What is the InChIKey of N-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide?
The InChIKey is ZNZSUZGOPNBQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-2-26(22(29)13-16-4-3-5-19(27)12-16)18-8-10-25(11-9-18)21(28)14-17-6-7-20(23)24-15-17/h3-7,12,15,18,27H,2,8-11,13-14H2,1H3.
What are the key properties of N-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide?
N-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide has a molecular weight of 415.92 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 166384167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).