2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide

C19H23N3O — CID 110648315

IUPAC2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cc1ccc(N2CCCCC2)cc1)NCc1ccncc1
InChIInChI=1S/C19H23N3O/c23-19(21-15-17-8-10-20-11-9-17)14-16-4-6-18(7-5-16)22-12-2-1-3-13-22/h4-11H,1-3,12-15H2,(H,21,23)
InChIKeyBFDYQIDHCGWHEP-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.93
Rot. Bonds5

About 2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide

2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 110648315) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID110648315
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cc1ccc(N2CCCCC2)cc1)NCc1ccncc1
InChIInChI=1S/C19H23N3O/c23-19(21-15-17-8-10-20-11-9-17)14-16-4-6-18(7-5-16)22-12-2-1-3-13-22/h4-11H,1-3,12-15H2,(H,21,23)
InChIKeyBFDYQIDHCGWHEP-UHFFFAOYSA-N
XLogP2.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.93
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-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 35619356
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259
1-N'-(4-piperidin-1-ylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108977040
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963754
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110648111
N-(pyridin-4-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109259201
4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 167851793
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109283603
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 51095858

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide (CID 110648315) is 2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide is O=C(Cc1ccc(N2CCCCC2)cc1)NCc1ccncc1.
What is the InChIKey of 2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is BFDYQIDHCGWHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(21-15-17-8-10-20-11-9-17)14-16-4-6-18(7-5-16)22-12-2-1-3-13-22/h4-11H,1-3,12-15H2,(H,21,23).
What are the key properties of 2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 309.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 110648315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).