N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide

C35H37FN4O2 — CID 71713934

IUPACN-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
SMILESCCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1
InChIInChI=1S/C35H37FN4O2/c1-3-39(4-2)35(42)33(25-11-6-5-7-12-25)26-18-21-40(22-19-26)32-17-16-28(23-31(32)36)38-34(41)30-15-9-8-14-29(30)27-13-10-20-37-24-27/h5-17,20,23-24,26,33H,3-4,18-19,21-22H2,1-2H3,(H,38,41)
InChIKeyMLKOLGWTURVOMW-UHFFFAOYSA-N
MW564.71 g/mol
LogP7.01
Rot. Bonds9

About N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide

N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide (PubChem CID 71713934) has the molecular formula C35H37FN4O2 and a molecular weight of 564.71 g/mol. Its IUPAC name is N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
PubChem CID71713934
Molecular FormulaC35H37FN4O2
Molecular Weight564.71 g/mol
Exact Mass564.29
IUPAC NameN-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
SMILESCCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1
InChIInChI=1S/C35H37FN4O2/c1-3-39(4-2)35(42)33(25-11-6-5-7-12-25)26-18-21-40(22-19-26)32-17-16-28(23-31(32)36)38-34(41)30-15-9-8-14-29(30)27-13-10-20-37-24-27/h5-17,20,23-24,26,33H,3-4,18-19,21-22H2,1-2H3,(H,38,41)
InChIKeyMLKOLGWTURVOMW-UHFFFAOYSA-N
XLogP7.01
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.71
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide?
The IUPAC name of N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide (CID 71713934) is N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide?
The canonical SMILES for N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide is CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1.
What is the InChIKey of N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide?
The InChIKey is MLKOLGWTURVOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37FN4O2/c1-3-39(4-2)35(42)33(25-11-6-5-7-12-25)26-18-21-40(22-19-26)32-17-16-28(23-31(32)36)38-34(41)30-15-9-8-14-29(30)27-13-10-20-37-24-27/h5-17,20,23-24,26,33H,3-4,18-19,21-22H2,1-2H3,(H,38,41).
What are the key properties of N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide?
N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide has a molecular weight of 564.71 g/mol, XLogP of 7.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide is sourced from PubChem (CID 71713934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).