N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide

C15H19N3O2 — CID 43246133

IUPACN-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCC(CO)CC2)cc1
InChIInChI=1S/C15H19N3O2/c16-9-12-1-3-14(4-2-12)17-15(20)10-18-7-5-13(11-19)6-8-18/h1-4,13,19H,5-8,10-11H2,(H,17,20)
InChIKeyLVQNLBITRUQSNX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.20
Rot. Bonds4

About N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide

N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 43246133) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID43246133
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCC(CO)CC2)cc1
InChIInChI=1S/C15H19N3O2/c16-9-12-1-3-14(4-2-12)17-15(20)10-18-7-5-13(11-19)6-8-18/h1-4,13,19H,5-8,10-11H2,(H,17,20)
InChIKeyLVQNLBITRUQSNX-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246129
N-(4-cyanophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248740
N-[4-(cyanomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 62020265
N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 112698282
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 60510320
N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60966755
N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533438
N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246107
N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
CID 115873454
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106669426

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (CID 43246133) is N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide is N#Cc1ccc(NC(=O)CN2CCC(CO)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is LVQNLBITRUQSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-9-12-1-3-14(4-2-12)17-15(20)10-18-7-5-13(11-19)6-8-18/h1-4,13,19H,5-8,10-11H2,(H,17,20).
What are the key properties of N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 43246133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).