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

C22H27FN2O — CID 133234574

IUPAC1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C22H27FN2O/c1-17(18-7-3-2-4-8-18)15-24-22(26)19-11-13-25(14-12-19)16-20-9-5-6-10-21(20)23/h2-10,17,19H,11-16H2,1H3,(H,24,26)
InChIKeyPLWLAAUILPGLOJ-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.96
Rot. Bonds6

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

1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide (PubChem CID 133234574) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
PubChem CID133234574
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C22H27FN2O/c1-17(18-7-3-2-4-8-18)15-24-22(26)19-11-13-25(14-12-19)16-20-9-5-6-10-21(20)23/h2-10,17,19H,11-16H2,1H3,(H,24,26)
InChIKeyPLWLAAUILPGLOJ-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 20886909
1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 25249290
1-[(2-fluorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917779
1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide
CID 95088469
1-[(2-fluorophenyl)methyl]-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 94013641
N-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 55861856
N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 134799756
1-[(2-fluorophenyl)methyl]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 100586770
1-[(2-fluorophenyl)methyl]-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013499
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid
CID 119254948
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113004169

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide (CID 133234574) is 1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide is CC(CNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccccc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is PLWLAAUILPGLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-17(18-7-3-2-4-8-18)15-24-22(26)19-11-13-25(14-12-19)16-20-9-5-6-10-21(20)23/h2-10,17,19H,11-16H2,1H3,(H,24,26).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 133234574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).