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

C33H33FN4O2 — CID 71713781

IUPACN-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
SMILESCCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1
InChIInChI=1S/C33H33FN4O2/c1-2-36-33(40)31(23-9-4-3-5-10-23)24-16-19-38(20-17-24)30-15-14-26(21-29(30)34)37-32(39)28-13-7-6-12-27(28)25-11-8-18-35-22-25/h3-15,18,21-22,24,31H,2,16-17,19-20H2,1H3,(H,36,40)(H,37,39)
InChIKeySJWGOVCLZUBJPZ-UHFFFAOYSA-N
MW536.65 g/mol
LogP6.28
Rot. Bonds8

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

N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide (PubChem CID 71713781) has the molecular formula C33H33FN4O2 and a molecular weight of 536.65 g/mol. Its IUPAC name is N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
PubChem CID71713781
Molecular FormulaC33H33FN4O2
Molecular Weight536.65 g/mol
Exact Mass536.26
IUPAC NameN-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
SMILESCCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1
InChIInChI=1S/C33H33FN4O2/c1-2-36-33(40)31(23-9-4-3-5-10-23)24-16-19-38(20-17-24)30-15-14-26(21-29(30)34)37-32(39)28-13-7-6-12-27(28)25-11-8-18-35-22-25/h3-15,18,21-22,24,31H,2,16-17,19-20H2,1H3,(H,36,40)(H,37,39)
InChIKeySJWGOVCLZUBJPZ-UHFFFAOYSA-N
XLogP6.28
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.65
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[4-[2-(ethylamino)-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-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide?
The IUPAC name of N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide (CID 71713781) is N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide?
The canonical SMILES for N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide is CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1.
What is the InChIKey of N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide?
The InChIKey is SJWGOVCLZUBJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN4O2/c1-2-36-33(40)31(23-9-4-3-5-10-23)24-16-19-38(20-17-24)30-15-14-26(21-29(30)34)37-32(39)28-13-7-6-12-27(28)25-11-8-18-35-22-25/h3-15,18,21-22,24,31H,2,16-17,19-20H2,1H3,(H,36,40)(H,37,39).
What are the key properties of N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide?
N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide has a molecular weight of 536.65 g/mol, XLogP of 6.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide is sourced from PubChem (CID 71713781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).