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

C20H23BrN2O — CID 43919529

IUPACN-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CN2CCCC(C(=O)Nc3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C20H23BrN2O/c1-15-4-6-16(7-5-15)13-23-12-2-3-17(14-23)20(24)22-19-10-8-18(21)9-11-19/h4-11,17H,2-3,12-14H2,1H3,(H,22,24)
InChIKeyQMQTZYKVZJNUEF-UHFFFAOYSA-N
MW387.32 g/mol
LogP4.61
Rot. Bonds4

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

N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43919529) has the molecular formula C20H23BrN2O and a molecular weight of 387.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43919529
Molecular FormulaC20H23BrN2O
Molecular Weight387.32 g/mol
Exact Mass386.10
IUPAC NameN-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CN2CCCC(C(=O)Nc3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C20H23BrN2O/c1-15-4-6-16(7-5-15)13-23-12-2-3-17(14-23)20(24)22-19-10-8-18(21)9-11-19/h4-11,17H,2-3,12-14H2,1H3,(H,22,24)
InChIKeyQMQTZYKVZJNUEF-UHFFFAOYSA-N
XLogP4.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-1-[(4-bromophenyl)methyl]piperidine-3-carboxamide
CID 43919496
(3R)-N-(4-bromophenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733338
1-[(4-bromophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 43921527
1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 43922322
1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 43922182
1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 43921604
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919136
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921368
1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920252
(3S)-N-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078601
N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924875

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 43919529) is N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(CN2CCCC(C(=O)Nc3ccc(Br)cc3)C2)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is QMQTZYKVZJNUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O/c1-15-4-6-16(7-5-15)13-23-12-2-3-17(14-23)20(24)22-19-10-8-18(21)9-11-19/h4-11,17H,2-3,12-14H2,1H3,(H,22,24).
What are the key properties of N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 387.32 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43919529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).