N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide

C17H22ClN3O2 — CID 111333324

IUPACN-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
SMILESCCC(O)C1CCCCN1CC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C17H22ClN3O2/c1-2-16(22)15-5-3-4-8-21(15)11-17(23)20-14-9-13(18)7-6-12(14)10-19/h6-7,9,15-16,22H,2-5,8,11H2,1H3,(H,20,23)
InChIKeyNZTQVYKVJVYSLC-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.78
Rot. Bonds5

About N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide

N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide (PubChem CID 111333324) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
PubChem CID111333324
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
SMILESCCC(O)C1CCCCN1CC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C17H22ClN3O2/c1-2-16(22)15-5-3-4-8-21(15)11-17(23)20-14-9-13(18)7-6-12(14)10-19/h6-7,9,15-16,22H,2-5,8,11H2,1H3,(H,20,23)
InChIKeyNZTQVYKVJVYSLC-UHFFFAOYSA-N
XLogP2.78
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697936
N-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide
CID 78901193
N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111333425
N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide
CID 124840763
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(5-chloro-2-cyanophenyl)acetamide
CID 11940553
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(5-chloro-2-cyanophenyl)acetamide
CID 9135046
N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110877770
N-(5-chloro-2-cyanophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2660736
N-(5-chloro-2-cyanophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]acetamide
CID 112820040
N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43212873
N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide
CID 78954514
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide (CID 111333324) is N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide is CCC(O)C1CCCCN1CC(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide?
The InChIKey is NZTQVYKVJVYSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-2-16(22)15-5-3-4-8-21(15)11-17(23)20-14-9-13(18)7-6-12(14)10-19/h6-7,9,15-16,22H,2-5,8,11H2,1H3,(H,20,23).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide has a molecular weight of 335.84 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 111333324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).