N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C20H31FN2O — CID 42562266

IUPACN-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)C(NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)C(C)C
InChIInChI=1S/C20H31FN2O/c1-14(2)19(15(3)4)22-20(24)17-9-11-23(12-10-17)13-16-5-7-18(21)8-6-16/h5-8,14-15,17,19H,9-13H2,1-4H3,(H,22,24)
InChIKeyBJWWMTNEWFAJOJ-UHFFFAOYSA-N
MW334.48 g/mol
LogP3.83
Rot. Bonds6

About N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 42562266) has the molecular formula C20H31FN2O and a molecular weight of 334.48 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID42562266
Molecular FormulaC20H31FN2O
Molecular Weight334.48 g/mol
Exact Mass334.24
IUPAC NameN-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)C(NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)C(C)C
InChIInChI=1S/C20H31FN2O/c1-14(2)19(15(3)4)22-20(24)17-9-11-23(12-10-17)13-16-5-7-18(21)8-6-16/h5-8,14-15,17,19H,9-13H2,1-4H3,(H,22,24)
InChIKeyBJWWMTNEWFAJOJ-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53286131
1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 762838
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-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46766661
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100773907
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272
1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46776533
1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 46776268

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 42562266) is N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is CC(C)C(NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is BJWWMTNEWFAJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O/c1-14(2)19(15(3)4)22-20(24)17-9-11-23(12-10-17)13-16-5-7-18(21)8-6-16/h5-8,14-15,17,19H,9-13H2,1-4H3,(H,22,24).
What are the key properties of N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 334.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 42562266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).