1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide

C22H25FN2O2 — CID 46065201

IUPAC1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCc2ccccc2F)CC(c2cccc(C)c2)C1
InChIInChI=1S/C22H25FN2O2/c1-15-6-5-8-17(10-15)19-11-20(14-25(13-19)16(2)26)22(27)24-12-18-7-3-4-9-21(18)23/h3-10,19-20H,11-14H2,1-2H3,(H,24,27)
InChIKeyVXALZZDYKIHCIS-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.40
Rot. Bonds4

About 1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide

1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 46065201) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID46065201
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCc2ccccc2F)CC(c2cccc(C)c2)C1
InChIInChI=1S/C22H25FN2O2/c1-15-6-5-8-17(10-15)19-11-20(14-25(13-19)16(2)26)22(27)24-12-18-7-3-4-9-21(18)23/h3-10,19-20H,11-14H2,1-2H3,(H,24,27)
InChIKeyVXALZZDYKIHCIS-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide (CID 46065201) is 1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide is CC(=O)N1CC(C(=O)NCc2ccccc2F)CC(c2cccc(C)c2)C1.
What is the InChIKey of 1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is VXALZZDYKIHCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-15-6-5-8-17(10-15)19-11-20(14-25(13-19)16(2)26)22(27)24-12-18-7-3-4-9-21(18)23/h3-10,19-20H,11-14H2,1-2H3,(H,24,27).
What are the key properties of 1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 46065201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).