N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide

C14H16ClN3O2 — CID 110877770

IUPACN-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CN1CCCC(O)C1
InChIInChI=1S/C14H16ClN3O2/c15-11-4-3-10(7-16)13(6-11)17-14(20)9-18-5-1-2-12(19)8-18/h3-4,6,12,19H,1-2,5,8-9H2,(H,17,20)
InChIKeyKSINSJBQXDOYNJ-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.61
Rot. Bonds3

About N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide

N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide (PubChem CID 110877770) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
PubChem CID110877770
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CN1CCCC(O)C1
InChIInChI=1S/C14H16ClN3O2/c15-11-4-3-10(7-16)13(6-11)17-14(20)9-18-5-1-2-12(19)8-18/h3-4,6,12,19H,1-2,5,8-9H2,(H,17,20)
InChIKeyKSINSJBQXDOYNJ-UHFFFAOYSA-N
XLogP1.61
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(5-chloro-2-cyanophenyl)acetamide
CID 11940553
N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110877774
N-(5-chloro-2-cyanophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]acetamide
CID 112820040
4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid
CID 60702556
N-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536776
N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697936
2-(3-aminopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 61298143
N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377
N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 94184594
N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide
CID 124840763
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
N-(5-chloro-2-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 4782283

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide (CID 110877770) is N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide is N#Cc1ccc(Cl)cc1NC(=O)CN1CCCC(O)C1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
The InChIKey is KSINSJBQXDOYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-11-4-3-10(7-16)13(6-11)17-14(20)9-18-5-1-2-12(19)8-18/h3-4,6,12,19H,1-2,5,8-9H2,(H,17,20).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide has a molecular weight of 293.75 g/mol, XLogP of 1.61, 3 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-(3-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 110877770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).