N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide

C28H28FN3O2 — CID 75140862

IUPACN-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
SMILESO=C(C=Cc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C28H28FN3O2/c29-23-13-10-22(11-14-23)20-30-28(34)25-8-4-5-9-26(25)32-18-16-24(17-19-32)31-27(33)15-12-21-6-2-1-3-7-21/h1-15,24H,16-20H2,(H,30,34)(H,31,33)
InChIKeyDQDJDLPDEOYARV-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.55
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide

N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide (PubChem CID 75140862) has the molecular formula C28H28FN3O2 and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
PubChem CID75140862
Molecular FormulaC28H28FN3O2
Molecular Weight457.55 g/mol
Exact Mass457.22
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
SMILESO=C(C=Cc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C28H28FN3O2/c29-23-13-10-22(11-14-23)20-30-28(34)25-8-4-5-9-26(25)32-18-16-24(17-19-32)31-27(33)15-12-21-6-2-1-3-7-21/h1-15,24H,16-20H2,(H,30,34)(H,31,33)
InChIKeyDQDJDLPDEOYARV-UHFFFAOYSA-N
XLogP4.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140857
2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46037577
N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140863
2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848178
N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038545
(E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 42682841
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 75140869
N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 42848180
N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848467
2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848187
N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46037924

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide (CID 75140862) is N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide is O=C(C=Cc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide?
The InChIKey is DQDJDLPDEOYARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O2/c29-23-13-10-22(11-14-23)20-30-28(34)25-8-4-5-9-26(25)32-18-16-24(17-19-32)31-27(33)15-12-21-6-2-1-3-7-21/h1-15,24H,16-20H2,(H,30,34)(H,31,33).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide?
N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide has a molecular weight of 457.55 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 75140862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).