N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide

C14H17N3O2 — CID 60642377

IUPACN-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCCC(O)C2)cc1
InChIInChI=1S/C14H17N3O2/c15-8-11-3-5-12(6-4-11)16-14(19)10-17-7-1-2-13(18)9-17/h3-6,13,18H,1-2,7,9-10H2,(H,16,19)
InChIKeyDFKASFODGONIGA-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.95
Rot. Bonds3

About N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide

N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide (PubChem CID 60642377) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
PubChem CID60642377
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCCC(O)C2)cc1
InChIInChI=1S/C14H17N3O2/c15-8-11-3-5-12(6-4-11)16-14(19)10-17-7-1-2-13(18)9-17/h3-6,13,18H,1-2,7,9-10H2,(H,16,19)
InChIKeyDFKASFODGONIGA-UHFFFAOYSA-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-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43430359
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106669426
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
CID 115873454
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-cyanophenyl)acetamide
CID 79927603
N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066
N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 112698282
N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533438
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 114961132
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133
ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate
CID 18083504

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide (CID 60642377) is N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide is N#Cc1ccc(NC(=O)CN2CCCC(O)C2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
The InChIKey is DFKASFODGONIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-8-11-3-5-12(6-4-11)16-14(19)10-17-7-1-2-13(18)9-17/h3-6,13,18H,1-2,7,9-10H2,(H,16,19).
What are the key properties of N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
N-(4-cyanophenyl)-2-(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-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 60642377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).