N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C21H25FN2O3 — CID 43920049

IUPACN-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCN(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C21H25FN2O3/c1-26-18-9-10-20(27-2)19(12-18)23-21(25)16-4-3-11-24(14-16)13-15-5-7-17(22)8-6-15/h5-10,12,16H,3-4,11,13-14H2,1-2H3,(H,23,25)
InChIKeyVBXHZWNUQHQSCD-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.69
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43920049) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43920049
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCN(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C21H25FN2O3/c1-26-18-9-10-20(27-2)19(12-18)23-21(25)16-4-3-11-24(14-16)13-15-5-7-17(22)8-6-15/h5-10,12,16H,3-4,11,13-14H2,1-2H3,(H,23,25)
InChIKeyVBXHZWNUQHQSCD-UHFFFAOYSA-N
XLogP3.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43920044
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43920046
1-[(4-bromophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 43921527
(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92851241
N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923132
1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920252
N-(2-methoxy-5-nitrophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923801
(3R)-1-[(4-fluorophenyl)methyl]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 100736674
N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46765225
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 93490793
1-[(3,5-difluorophenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 45169697

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 43920049) is N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is COc1ccc(OC)c(NC(=O)C2CCCN(Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is VBXHZWNUQHQSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-26-18-9-10-20(27-2)19(12-18)23-21(25)16-4-3-11-24(14-16)13-15-5-7-17(22)8-6-15/h5-10,12,16H,3-4,11,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43920049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).