1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide

C20H22BrClN2O — CID 43921604

IUPAC1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C20H22BrClN2O/c1-14-4-9-18(22)11-19(14)23-20(25)16-3-2-10-24(13-16)12-15-5-7-17(21)8-6-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeyXAFXWVCPWWQHGW-UHFFFAOYSA-N
MW421.77 g/mol
LogP5.26
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide

1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide (PubChem CID 43921604) has the molecular formula C20H22BrClN2O and a molecular weight of 421.77 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide
PubChem CID43921604
Molecular FormulaC20H22BrClN2O
Molecular Weight421.77 g/mol
Exact Mass420.06
IUPAC Name1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C20H22BrClN2O/c1-14-4-9-18(22)11-19(14)23-20(25)16-3-2-10-24(13-16)12-15-5-7-17(21)8-6-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeyXAFXWVCPWWQHGW-UHFFFAOYSA-N
XLogP5.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.77
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921606
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919136
N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43921598
N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921605
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919529
1-[(4-chlorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide
CID 43923845
1-[(4-bromophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 43921527
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490949
1-[(4-bromophenyl)methyl]-N-(4-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 43921575
1-[(4-bromophenyl)methyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 43919152
1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920252

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide (CID 43921604) is 1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CCCN(Cc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide?
The InChIKey is XAFXWVCPWWQHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrClN2O/c1-14-4-9-18(22)11-19(14)23-20(25)16-3-2-10-24(13-16)12-15-5-7-17(21)8-6-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,25).
What are the key properties of 1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide?
1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 421.77 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43921604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).