(3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide

C22H25BrFN3O2 — CID 93071270

IUPAC(3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)[C@]1(C)CCCN(C(=O)Nc2ccc(Br)cc2F)C1
InChIInChI=1S/C22H25BrFN3O2/c1-15-6-3-4-7-16(15)13-25-20(28)22(2)10-5-11-27(14-22)21(29)26-19-9-8-17(23)12-18(19)24/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3,(H,25,28)(H,26,29)/t22-/m1/s1
InChIKeyPCQYWRSNICHAAS-JOCHJYFZSA-N
MW462.36 g/mol
LogP4.85
Rot. Bonds4

About (3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide

(3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 93071270) has the molecular formula C22H25BrFN3O2 and a molecular weight of 462.36 g/mol. Its IUPAC name is (3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
PubChem CID93071270
Molecular FormulaC22H25BrFN3O2
Molecular Weight462.36 g/mol
Exact Mass461.11
IUPAC Name(3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)[C@]1(C)CCCN(C(=O)Nc2ccc(Br)cc2F)C1
InChIInChI=1S/C22H25BrFN3O2/c1-15-6-3-4-7-16(15)13-25-20(28)22(2)10-5-11-27(14-22)21(29)26-19-9-8-17(23)12-18(19)24/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3,(H,25,28)(H,26,29)/t22-/m1/s1
InChIKeyPCQYWRSNICHAAS-JOCHJYFZSA-N
XLogP4.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.36
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53117240
1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117054
(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087773
(3R)-3-methyl-1-(3-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087371
(3R)-1-N-(2,3-dimethylphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087885
(3S)-3-N-benzyl-1-N-(2-bromophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088063
3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(2-methylphenyl)piperidine-1,3-dicarboxamide
CID 53117270
3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117301
1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53011146
1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137889
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417
(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088079

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide (CID 93071270) is (3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide is Cc1ccccc1CNC(=O)[C@]1(C)CCCN(C(=O)Nc2ccc(Br)cc2F)C1.
What is the InChIKey of (3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is PCQYWRSNICHAAS-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25BrFN3O2/c1-15-6-3-4-7-16(15)13-25-20(28)22(2)10-5-11-27(14-22)21(29)26-19-9-8-17(23)12-18(19)24/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3,(H,25,28)(H,26,29)/t22-/m1/s1.
What are the key properties of (3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
(3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 462.36 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 93071270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).