N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide

C15H19N3O2 — CID 60684715

IUPACN-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESN#Cc1cccc(NC(=O)CN2CCCCC2CO)c1
InChIInChI=1S/C15H19N3O2/c16-9-12-4-3-5-13(8-12)17-15(20)10-18-7-2-1-6-14(18)11-19/h3-5,8,14,19H,1-2,6-7,10-11H2,(H,17,20)
InChIKeyYRZCNKKYIMIDNG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.34
Rot. Bonds4

About N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide

N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 60684715) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID60684715
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESN#Cc1cccc(NC(=O)CN2CCCCC2CO)c1
InChIInChI=1S/C15H19N3O2/c16-9-12-4-3-5-13(8-12)17-15(20)10-18-7-2-1-6-14(18)11-19/h3-5,8,14,19H,1-2,6-7,10-11H2,(H,17,20)
InChIKeyYRZCNKKYIMIDNG-UHFFFAOYSA-N
XLogP1.34
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684623
N-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407514
N-(3-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62046362
N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110864817
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
N-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684646
N-(3-cyanophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8972880
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-cyanophenyl)acetamide
CID 102681426
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 62046860
N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116634774
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684923
N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 43187511

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide (CID 60684715) is N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide is N#Cc1cccc(NC(=O)CN2CCCCC2CO)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is YRZCNKKYIMIDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-9-12-4-3-5-13(8-12)17-15(20)10-18-7-2-1-6-14(18)11-19/h3-5,8,14,19H,1-2,6-7,10-11H2,(H,17,20).
What are the key properties of N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 60684715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).