N-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide

C28H31FN2O — CID 2903538

IUPACN-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(Cc2ccccc2F)CC1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H31FN2O/c29-27-14-8-7-13-26(27)22-30-18-16-25(17-19-30)28(32)31(21-24-11-5-2-6-12-24)20-15-23-9-3-1-4-10-23/h1-14,25H,15-22H2
InChIKeyVSRJCXJUBSZGNR-UHFFFAOYSA-N
MW430.57 g/mol
LogP5.31
Rot. Bonds8

About N-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide

N-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 2903538) has the molecular formula C28H31FN2O and a molecular weight of 430.57 g/mol. Its IUPAC name is N-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID2903538
Molecular FormulaC28H31FN2O
Molecular Weight430.57 g/mol
Exact Mass430.24
IUPAC NameN-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(Cc2ccccc2F)CC1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H31FN2O/c29-27-14-8-7-13-26(27)22-30-18-16-25(17-19-30)28(32)31(21-24-11-5-2-6-12-24)20-15-23-9-3-1-4-10-23/h1-14,25H,15-22H2
InChIKeyVSRJCXJUBSZGNR-UHFFFAOYSA-N
XLogP5.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 2903538) is N-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(C1CCN(Cc2ccccc2F)CC1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is VSRJCXJUBSZGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O/c29-27-14-8-7-13-26(27)22-30-18-16-25(17-19-30)28(32)31(21-24-11-5-2-6-12-24)20-15-23-9-3-1-4-10-23/h1-14,25H,15-22H2.
What are the key properties of N-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
N-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2903538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).