1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide

C20H23BrN2O2 — CID 43920252

IUPAC1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C20H23BrN2O2/c1-25-19-7-3-2-6-18(19)22-20(24)16-5-4-12-23(14-16)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,22,24)
InChIKeyOAUYPUDPJPPGSN-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.31
Rot. Bonds5

About 1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide

1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 43920252) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
PubChem CID43920252
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C20H23BrN2O2/c1-25-19-7-3-2-6-18(19)22-20(24)16-5-4-12-23(14-16)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,22,24)
InChIKeyOAUYPUDPJPPGSN-UHFFFAOYSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92851241
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
1-[(4-bromophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 43921527
1-[(4-bromophenyl)methyl]-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 43925556
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 43919718
(3R)-1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 93490668
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920255
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 1265158
N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43920049
1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43920046
(3S)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 124818396
(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 124818397

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide (CID 43920252) is 1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide is COc1ccccc1NC(=O)C1CCCN(Cc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is OAUYPUDPJPPGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-25-19-7-3-2-6-18(19)22-20(24)16-5-4-12-23(14-16)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,22,24).
What are the key properties of 1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide?
1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 403.32 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43920252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).