1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide

C26H24ClFN2O2 — CID 46041479

IUPAC1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC(c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H24ClFN2O2/c27-22-12-9-20(10-13-22)26(32)30-17-21(11-14-24(30)19-6-2-1-3-7-19)25(31)29-16-18-5-4-8-23(28)15-18/h1-10,12-13,15,21,24H,11,14,16-17H2,(H,29,31)
InChIKeyMIYRUUDSZMPRQD-UHFFFAOYSA-N
MW450.94 g/mol
LogP5.39
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide (PubChem CID 46041479) has the molecular formula C26H24ClFN2O2 and a molecular weight of 450.94 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide
PubChem CID46041479
Molecular FormulaC26H24ClFN2O2
Molecular Weight450.94 g/mol
Exact Mass450.15
IUPAC Name1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC(c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H24ClFN2O2/c27-22-12-9-20(10-13-22)26(32)30-17-21(11-14-24(30)19-6-2-1-3-7-19)25(31)29-16-18-5-4-8-23(28)15-18/h1-10,12-13,15,21,24H,11,14,16-17H2,(H,29,31)
InChIKeyMIYRUUDSZMPRQD-UHFFFAOYSA-N
XLogP5.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.94
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 46071643
6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42849482
(3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082374
1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide
CID 46069307
(3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 93328515
(3S,6R)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92996775
1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 46041560
N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42849514
1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 42849513
1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide
CID 46041495
(3S)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 94490782
cis-(1S,3R)-3-[(3-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552932

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide (CID 46041479) is 1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide is O=C(NCc1cccc(F)c1)C1CCC(c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide?
The InChIKey is MIYRUUDSZMPRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN2O2/c27-22-12-9-20(10-13-22)26(32)30-17-21(11-14-24(30)19-6-2-1-3-7-19)25(31)29-16-18-5-4-8-23(28)15-18/h1-10,12-13,15,21,24H,11,14,16-17H2,(H,29,31).
What are the key properties of 1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide has a molecular weight of 450.94 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 46041479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).