N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide

C23H23IN2O — CID 43920099

IUPACN-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H23IN2O/c24-20-8-10-21(11-9-20)25-23(27)18-12-14-26(15-13-18)16-19-6-3-5-17-4-1-2-7-22(17)19/h1-11,18H,12-16H2,(H,25,27)
InChIKeyDVRLLERTRGMSMU-UHFFFAOYSA-N
MW470.35 g/mol
LogP5.30
Rot. Bonds4

About N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide

N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide (PubChem CID 43920099) has the molecular formula C23H23IN2O and a molecular weight of 470.35 g/mol. Its IUPAC name is N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
PubChem CID43920099
Molecular FormulaC23H23IN2O
Molecular Weight470.35 g/mol
Exact Mass470.09
IUPAC NameN-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H23IN2O/c24-20-8-10-21(11-9-20)25-23(27)18-12-14-26(15-13-18)16-19-6-3-5-17-4-1-2-7-22(17)19/h1-11,18H,12-16H2,(H,25,27)
InChIKeyDVRLLERTRGMSMU-UHFFFAOYSA-N
XLogP5.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.35
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide 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-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide (CID 43920099) is N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide is O=C(Nc1ccc(I)cc1)C1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The InChIKey is DVRLLERTRGMSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23IN2O/c24-20-8-10-21(11-9-20)25-23(27)18-12-14-26(15-13-18)16-19-6-3-5-17-4-1-2-7-22(17)19/h1-11,18H,12-16H2,(H,25,27).
What are the key properties of N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide has a molecular weight of 470.35 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 43920099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).