(3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide

C22H25ClFN3O3 — CID 95087898

IUPAC(3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCC[C@@](C)(C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C22H25ClFN3O3/c1-22(20(28)25-13-15-4-7-17(24)8-5-15)10-3-11-27(14-22)21(29)26-18-12-16(23)6-9-19(18)30-2/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,25,28)(H,26,29)/t22-/m1/s1
InChIKeyJZIKVFXCNKWZAL-JOCHJYFZSA-N
MW433.91 g/mol
LogP4.44
Rot. Bonds5

About (3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide

(3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide (PubChem CID 95087898) has the molecular formula C22H25ClFN3O3 and a molecular weight of 433.91 g/mol. Its IUPAC name is (3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
PubChem CID95087898
Molecular FormulaC22H25ClFN3O3
Molecular Weight433.91 g/mol
Exact Mass433.16
IUPAC Name(3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCC[C@@](C)(C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C22H25ClFN3O3/c1-22(20(28)25-13-15-4-7-17(24)8-5-15)10-3-11-27(14-22)21(29)26-18-12-16(23)6-9-19(18)30-2/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,25,28)(H,26,29)/t22-/m1/s1
InChIKeyJZIKVFXCNKWZAL-JOCHJYFZSA-N
XLogP4.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.91
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide with MolForge

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Related Compounds

3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117301
1-N-(5-chloro-2-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 53117267
(3S)-1-N-(3-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087875
(3R)-1-N-(2-methoxyphenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087951
3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117302
(3R)-1-N-(2,3-dimethylphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087885
(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088079
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088080
(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
1-N-(4-chlorophenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53117346
(3R)-1-N-(4-chlorophenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087961

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide (CID 95087898) is (3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide is COc1ccc(Cl)cc1NC(=O)N1CCC[C@@](C)(C(=O)NCc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
The InChIKey is JZIKVFXCNKWZAL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25ClFN3O3/c1-22(20(28)25-13-15-4-7-17(24)8-5-15)10-3-11-27(14-22)21(29)26-18-12-16(23)6-9-19(18)30-2/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,25,28)(H,26,29)/t22-/m1/s1.
What are the key properties of (3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
(3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide has a molecular weight of 433.91 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 95087898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).