N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide

C27H29FN2O2 — CID 134801433

IUPACN-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(CN2CCCCC2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C27H29FN2O2/c1-32-26-15-14-23(28)17-24(26)22-12-10-21(11-13-22)19-30-16-6-5-9-25(30)27(31)29-18-20-7-3-2-4-8-20/h2-4,7-8,10-15,17,25H,5-6,9,16,18-19H2,1H3,(H,29,31)
InChIKeyLSXXWYSWNZYBAM-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.17
Rot. Bonds7

About N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide

N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 134801433) has the molecular formula C27H29FN2O2 and a molecular weight of 432.54 g/mol. Its IUPAC name is N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
PubChem CID134801433
Molecular FormulaC27H29FN2O2
Molecular Weight432.54 g/mol
Exact Mass432.22
IUPAC NameN-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(CN2CCCCC2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C27H29FN2O2/c1-32-26-15-14-23(28)17-24(26)22-12-10-21(11-13-22)19-30-16-6-5-9-25(30)27(31)29-18-20-7-3-2-4-8-20/h2-4,7-8,10-15,17,25H,5-6,9,16,18-19H2,1H3,(H,29,31)
InChIKeyLSXXWYSWNZYBAM-UHFFFAOYSA-N
XLogP5.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
CID 134802121
(4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone
CID 134802654
[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 134801868
[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 134796455
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 134797326
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
(2S)-N-benzyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 67619248
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
N-[(4-chlorophenyl)methyl]-1-[[3-(3-methoxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134800440
N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride
CID 119420472
(2R)-1-[(4-fluorophenyl)methyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 95786833

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide (CID 134801433) is N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide is COc1ccc(F)cc1-c1ccc(CN2CCCCC2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is LSXXWYSWNZYBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O2/c1-32-26-15-14-23(28)17-24(26)22-12-10-21(11-13-22)19-30-16-6-5-9-25(30)27(31)29-18-20-7-3-2-4-8-20/h2-4,7-8,10-15,17,25H,5-6,9,16,18-19H2,1H3,(H,29,31).
What are the key properties of N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide?
N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 134801433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).