N-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide

C14H17N3O2 — CID 70365736

IUPACN-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide
SMILESN#Cc1ccccc1N1CCCCC1NC(=O)CO
InChIInChI=1S/C14H17N3O2/c15-9-11-5-1-2-6-12(11)17-8-4-3-7-13(17)16-14(19)10-18/h1-2,5-6,13,18H,3-4,7-8,10H2,(H,16,19)
InChIKeyCGBGCJSXIUGDKX-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.98
Rot. Bonds3

About N-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide

N-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide (PubChem CID 70365736) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide
PubChem CID70365736
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide
SMILESN#Cc1ccccc1N1CCCCC1NC(=O)CO
InChIInChI=1S/C14H17N3O2/c15-9-11-5-1-2-6-12(11)17-8-4-3-7-13(17)16-14(19)10-18/h1-2,5-6,13,18H,3-4,7-8,10H2,(H,16,19)
InChIKeyCGBGCJSXIUGDKX-UHFFFAOYSA-N
XLogP0.98
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile
CID 55167783
2-[2-(2-hydroxyethyl)pyrrolidin-1-yl]benzonitrile
CID 117028581
methyl 1-(2-cyanophenyl)piperidine-3-carboxylate
CID 78920451
(3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide
CID 95764839
2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide
CID 41103574
2-[2-(4-bromophenyl)pyrrolidin-1-yl]benzonitrile
CID 84608155
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857
2-[4-[4-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)butyl]piperazin-1-yl]benzonitrile;hydrochloride
CID 52942946
N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116634774
ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate
CID 43180301
2-[4-[(2S)-1-methylazepane-2-carbonyl]piperazin-1-yl]benzonitrile
CID 97203883
3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid
CID 56777931

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide?
The IUPAC name of N-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide (CID 70365736) is N-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide is N#Cc1ccccc1N1CCCCC1NC(=O)CO.
What is the InChIKey of N-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide?
The InChIKey is CGBGCJSXIUGDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-9-11-5-1-2-6-12(11)17-8-4-3-7-13(17)16-14(19)10-18/h1-2,5-6,13,18H,3-4,7-8,10H2,(H,16,19).
What are the key properties of N-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide?
N-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide has a molecular weight of 259.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 70365736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).