N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide

C14H17N3O2 — CID 107226088

IUPACN-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
SMILESN#Cc1cccc(NC(=O)CN2CCC[C@H](O)C2)c1
InChIInChI=1S/C14H17N3O2/c15-8-11-3-1-4-12(7-11)16-14(19)10-17-6-2-5-13(18)9-17/h1,3-4,7,13,18H,2,5-6,9-10H2,(H,16,19)/t13-/m0/s1
InChIKeyJKQNRLFDEJJUHM-ZDUSSCGKSA-N
MW259.31 g/mol
LogP0.95
Rot. Bonds3

About N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide

N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide (PubChem CID 107226088) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
PubChem CID107226088
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
SMILESN#Cc1cccc(NC(=O)CN2CCC[C@H](O)C2)c1
InChIInChI=1S/C14H17N3O2/c15-8-11-3-1-4-12(7-11)16-14(19)10-17-6-2-5-13(18)9-17/h1,3-4,7,13,18H,2,5-6,9-10H2,(H,16,19)/t13-/m0/s1
InChIKeyJKQNRLFDEJJUHM-ZDUSSCGKSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43176765
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
ethyl (3R)-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532743
N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 115688555
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
CID 62062180
2-[1-[2-(3-cyanoanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618327
methyl 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742254
N-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide
CID 112737330
N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide
CID 34425568

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide (CID 107226088) is N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide is N#Cc1cccc(NC(=O)CN2CCC[C@H](O)C2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide?
The InChIKey is JKQNRLFDEJJUHM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-8-11-3-1-4-12(7-11)16-14(19)10-17-6-2-5-13(18)9-17/h1,3-4,7,13,18H,2,5-6,9-10H2,(H,16,19)/t13-/m0/s1.
What are the key properties of N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide?
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide is sourced from PubChem (CID 107226088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).