3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide

C22H26FN3O3 — CID 53117301

IUPAC3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC(C)(C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C22H26FN3O3/c1-22(20(27)24-14-16-8-10-17(23)11-9-16)12-5-13-26(15-22)21(28)25-18-6-3-4-7-19(18)29-2/h3-4,6-11H,5,12-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJKCYQQVYKHPGJR-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.78
Rot. Bonds5

About 3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide

3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide (PubChem CID 53117301) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
PubChem CID53117301
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC(C)(C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C22H26FN3O3/c1-22(20(27)24-14-16-8-10-17(23)11-9-16)12-5-13-26(15-22)21(28)25-18-6-3-4-7-19(18)29-2/h3-4,6-11H,5,12-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJKCYQQVYKHPGJR-UHFFFAOYSA-N
XLogP3.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-N-(2-methoxyphenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087951
(3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087898
(3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 93071343
(3R)-1-N-(2,3-dimethylphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087885
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088080
(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088079
3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117302
4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998868
(3S)-3-N-benzyl-1-N-(2-bromophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088063
(3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088047
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022
(3S)-1-N-(3-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087875

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide (CID 53117301) is 3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide is COc1ccccc1NC(=O)N1CCCC(C)(C(=O)NCc2ccc(F)cc2)C1.
What is the InChIKey of 3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide?
The InChIKey is JKCYQQVYKHPGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-22(20(27)24-14-16-8-10-17(23)11-9-16)12-5-13-26(15-22)21(28)25-18-6-3-4-7-19(18)29-2/h3-4,6-11H,5,12-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide?
3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide has a molecular weight of 399.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 53117301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).