N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide

C20H21N3O — CID 110651282

IUPACN-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H21N3O/c21-15-17-6-2-3-7-19(17)22-20(24)14-16-8-10-18(11-9-16)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H,22,24)
InChIKeyPCIJUHRKJFVOBJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.73
Rot. Bonds4

About N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide

N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 110651282) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide
PubChem CID110651282
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H21N3O/c21-15-17-6-2-3-7-19(17)22-20(24)14-16-8-10-18(11-9-16)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H,22,24)
InChIKeyPCIJUHRKJFVOBJ-UHFFFAOYSA-N
XLogP3.73
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649990
N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107021013
N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969928
N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 671206
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51302573
2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
CID 119842058
N-(2-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740419
N-(2-cyanophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416050
N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 1439590
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
N-(2-bromophenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110425885

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide (CID 110651282) is N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide is N#Cc1ccccc1NC(=O)Cc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is PCIJUHRKJFVOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-15-17-6-2-3-7-19(17)22-20(24)14-16-8-10-18(11-9-16)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H,22,24).
What are the key properties of N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide?
N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110651282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).