N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide

C26H29N3O — CID 170124345

IUPACN-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(CC3CCNCC3)cc2)cc1-c1ccccn1
InChIInChI=1S/C26H29N3O/c1-2-21-10-11-23(18-24(21)25-5-3-4-14-28-25)29-26(30)22-8-6-19(7-9-22)17-20-12-15-27-16-13-20/h3-11,14,18,20,27H,2,12-13,15-17H2,1H3,(H,29,30)
InChIKeyYLLWGBAELFVXOK-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.11
Rot. Bonds6

About N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide

N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide (PubChem CID 170124345) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide
PubChem CID170124345
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC NameN-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(CC3CCNCC3)cc2)cc1-c1ccccn1
InChIInChI=1S/C26H29N3O/c1-2-21-10-11-23(18-24(21)25-5-3-4-14-28-25)29-26(30)22-8-6-19(7-9-22)17-20-12-15-27-16-13-20/h3-11,14,18,20,27H,2,12-13,15-17H2,1H3,(H,29,30)
InChIKeyYLLWGBAELFVXOK-UHFFFAOYSA-N
XLogP5.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide (CID 170124345) is N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide is CCc1ccc(NC(=O)c2ccc(CC3CCNCC3)cc2)cc1-c1ccccn1.
What is the InChIKey of N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide?
The InChIKey is YLLWGBAELFVXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-2-21-10-11-23(18-24(21)25-5-3-4-14-28-25)29-26(30)22-8-6-19(7-9-22)17-20-12-15-27-16-13-20/h3-11,14,18,20,27H,2,12-13,15-17H2,1H3,(H,29,30).
What are the key properties of N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide?
N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide has a molecular weight of 399.54 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 170124345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).