1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide

C23H28F2N2O2 — CID 134802699

IUPAC1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide
SMILESCCOCCNC(=O)C1CCCN(Cc2cccc(-c3ccc(F)cc3F)c2)C1
InChIInChI=1S/C23H28F2N2O2/c1-2-29-12-10-26-23(28)19-7-4-11-27(16-19)15-17-5-3-6-18(13-17)21-9-8-20(24)14-22(21)25/h3,5-6,8-9,13-14,19H,2,4,7,10-12,15-16H2,1H3,(H,26,28)
InChIKeyBBPSGZMNWQJRLB-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.00
Rot. Bonds8

About 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide

1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide (PubChem CID 134802699) has the molecular formula C23H28F2N2O2 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide
PubChem CID134802699
Molecular FormulaC23H28F2N2O2
Molecular Weight402.49 g/mol
Exact Mass402.21
IUPAC Name1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide
SMILESCCOCCNC(=O)C1CCCN(Cc2cccc(-c3ccc(F)cc3F)c2)C1
InChIInChI=1S/C23H28F2N2O2/c1-2-29-12-10-26-23(28)19-7-4-11-27(16-19)15-17-5-3-6-18(13-17)21-9-8-20(24)14-22(21)25/h3,5-6,8-9,13-14,19H,2,4,7,10-12,15-16H2,1H3,(H,26,28)
InChIKeyBBPSGZMNWQJRLB-UHFFFAOYSA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide (CID 134802699) is 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide is CCOCCNC(=O)C1CCCN(Cc2cccc(-c3ccc(F)cc3F)c2)C1.
What is the InChIKey of 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide?
The InChIKey is BBPSGZMNWQJRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O2/c1-2-29-12-10-26-23(28)19-7-4-11-27(16-19)15-17-5-3-6-18(13-17)21-9-8-20(24)14-22(21)25/h3,5-6,8-9,13-14,19H,2,4,7,10-12,15-16H2,1H3,(H,26,28).
What are the key properties of 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide?
1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(2-ethoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 134802699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).