N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide

C21H23BrN2O2 — CID 55608650

IUPACN-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1Br
InChIInChI=1S/C21H23BrN2O2/c1-15-9-10-18(13-19(15)22)23-21(26)17-8-5-11-24(14-17)20(25)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3,(H,23,26)
InChIKeyKZRGRDXVAXBOCF-UHFFFAOYSA-N
MW415.33 g/mol
LogP4.18
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide

N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 55608650) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID55608650
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC NameN-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1Br
InChIInChI=1S/C21H23BrN2O2/c1-15-9-10-18(13-19(15)22)23-21(26)17-8-5-11-24(14-17)20(25)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3,(H,23,26)
InChIKeyKZRGRDXVAXBOCF-UHFFFAOYSA-N
XLogP4.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476
N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55604677
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46481378
N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006448
methyl 2-[[4-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]benzoyl]amino]acetate
CID 55607181
(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 51937770
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605664
1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 167986303
(3S)-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 96521978
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55628957

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 55608650) is N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is KZRGRDXVAXBOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c1-15-9-10-18(13-19(15)22)23-21(26)17-8-5-11-24(14-17)20(25)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3,(H,23,26).
What are the key properties of N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 415.33 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 55608650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).