1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide

C21H25BrN2O3 — CID 43920046

IUPAC1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCN(Cc3cccc(Br)c3)C2)c1
InChIInChI=1S/C21H25BrN2O3/c1-26-18-8-9-20(27-2)19(12-18)23-21(25)16-6-4-10-24(14-16)13-15-5-3-7-17(22)11-15/h3,5,7-9,11-12,16H,4,6,10,13-14H2,1-2H3,(H,23,25)
InChIKeyDNSFZUOSCIZKQC-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.32
Rot. Bonds6

About 1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide

1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 43920046) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
PubChem CID43920046
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCN(Cc3cccc(Br)c3)C2)c1
InChIInChI=1S/C21H25BrN2O3/c1-26-18-8-9-20(27-2)19(12-18)23-21(25)16-6-4-10-24(14-16)13-15-5-3-7-17(22)11-15/h3,5,7-9,11-12,16H,4,6,10,13-14H2,1-2H3,(H,23,25)
InChIKeyDNSFZUOSCIZKQC-UHFFFAOYSA-N
XLogP4.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-[(3-bromophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate
CID 43925735
1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43920044
N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43920049
1-[(4-bromophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 43921527
1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919379
1-[(3-bromophenyl)methyl]-N-(3-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 43921642
1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920252
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 93490793
1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide
CID 43924958
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43934100
1-[(3-bromophenyl)methyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917480
1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 43925877

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide (CID 43920046) is 1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide is COc1ccc(OC)c(NC(=O)C2CCCN(Cc3cccc(Br)c3)C2)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is DNSFZUOSCIZKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-26-18-8-9-20(27-2)19(12-18)23-21(25)16-6-4-10-24(14-16)13-15-5-3-7-17(22)11-15/h3,5,7-9,11-12,16H,4,6,10,13-14H2,1-2H3,(H,23,25).
What are the key properties of 1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?
1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 433.35 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43920046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).