N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C23H29FN2O — CID 46766661

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C23H29FN2O/c1-16-4-7-21(14-17(16)2)18(3)25-23(27)20-10-12-26(13-11-20)15-19-5-8-22(24)9-6-19/h4-9,14,18,20H,10-13,15H2,1-3H3,(H,25,27)
InChIKeyFSBNCYDWJQANMX-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.53
Rot. Bonds5

About N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 46766661) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID46766661
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C23H29FN2O/c1-16-4-7-21(14-17(16)2)18(3)25-23(27)20-10-12-26(13-11-20)15-19-5-8-22(24)9-6-19/h4-9,14,18,20H,10-13,15H2,1-3H3,(H,25,27)
InChIKeyFSBNCYDWJQANMX-UHFFFAOYSA-N
XLogP4.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013963
1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46766659
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide
CID 133220208
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013959
1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 46776268
N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 42562266
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 100686799
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100773907
1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53286131
(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94024257

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 46766661) is N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is Cc1ccc(C(C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is FSBNCYDWJQANMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-16-4-7-21(14-17(16)2)18(3)25-23(27)20-10-12-26(13-11-20)15-19-5-8-22(24)9-6-19/h4-9,14,18,20H,10-13,15H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46766661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).