1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide

C22H28FN3O — CID 46775234

IUPAC1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
SMILESCN(CCNC(=O)C1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1
InChIInChI=1S/C22H28FN3O/c1-25(21-7-3-2-4-8-21)15-13-24-22(27)19-6-5-14-26(17-19)16-18-9-11-20(23)12-10-18/h2-4,7-12,19H,5-6,13-17H2,1H3,(H,24,27)
InChIKeyKJKFMTOYMRPSEG-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.29
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide (PubChem CID 46775234) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
PubChem CID46775234
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
SMILESCN(CCNC(=O)C1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1
InChIInChI=1S/C22H28FN3O/c1-25(21-7-3-2-4-8-21)15-13-24-22(27)19-6-5-14-26(17-19)16-18-9-11-20(23)12-10-18/h2-4,7-12,19H,5-6,13-17H2,1H3,(H,24,27)
InChIKeyKJKFMTOYMRPSEG-UHFFFAOYSA-N
XLogP3.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 43931800
1-[(4-fluorophenyl)methyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133204271
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
(3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 94020490
(3S)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 94020491
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948
N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 133210494
(3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 95149532
1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 47989978
N-(2-cyclohexylsulfanylethyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43922931
(3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide
CID 94020473
1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 72923133

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide (CID 46775234) is 1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide is CN(CCNC(=O)C1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
The InChIKey is KJKFMTOYMRPSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-25(21-7-3-2-4-8-21)15-13-24-22(27)19-6-5-14-26(17-19)16-18-9-11-20(23)12-10-18/h2-4,7-12,19H,5-6,13-17H2,1H3,(H,24,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide has a molecular weight of 369.48 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 46775234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).