1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide

C21H23ClF2N2O — CID 100686799

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23ClF2N2O/c1-14(15-3-6-19(23)7-4-15)25-21(27)16-8-10-26(11-9-16)13-17-2-5-18(22)12-20(17)24/h2-7,12,14,16H,8-11,13H2,1H3,(H,25,27)/t14-/m0/s1
InChIKeyWJTIAVDKVHXTKH-AWEZNQCLSA-N
MW392.88 g/mol
LogP4.71
Rot. Bonds5

About 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide

1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 100686799) has the molecular formula C21H23ClF2N2O and a molecular weight of 392.88 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID100686799
Molecular FormulaC21H23ClF2N2O
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23ClF2N2O/c1-14(15-3-6-19(23)7-4-15)25-21(27)16-8-10-26(11-9-16)13-17-2-5-18(22)12-20(17)24/h2-7,12,14,16H,8-11,13H2,1H3,(H,25,27)/t14-/m0/s1
InChIKeyWJTIAVDKVHXTKH-AWEZNQCLSA-N
XLogP4.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 46776268
1-[(4-chloro-2-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 100689176
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 99827159
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]piperidine-4-carboxamide
CID 100686841
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 92673376
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]piperidine-4-carboxamide
CID 100686926
N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46766661
1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
CID 133189759
1-[(2-chloro-6-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776174
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7316831

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 100686799) is 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide is C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is WJTIAVDKVHXTKH-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23ClF2N2O/c1-14(15-3-6-19(23)7-4-15)25-21(27)16-8-10-26(11-9-16)13-17-2-5-18(22)12-20(17)24/h2-7,12,14,16H,8-11,13H2,1H3,(H,25,27)/t14-/m0/s1.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 392.88 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 100686799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).