N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide

C14H19BrN2O — CID 115160465

IUPACN-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide
SMILESCN(C(=O)CC1CCCCN1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-17(13-7-5-11(15)6-8-13)14(18)10-12-4-2-3-9-16-12/h5-8,12,16H,2-4,9-10H2,1H3
InChIKeyISBAEVPGONSNBK-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.94
Rot. Bonds3

About N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide

N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide (PubChem CID 115160465) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide
PubChem CID115160465
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide
SMILESCN(C(=O)CC1CCCCN1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-17(13-7-5-11(15)6-8-13)14(18)10-12-4-2-3-9-16-12/h5-8,12,16H,2-4,9-10H2,1H3
InChIKeyISBAEVPGONSNBK-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 115160149
N-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 115160127
N-methyl-N-phenyl-3-piperidin-2-ylpropanamide
CID 62211013
N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 62210857
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide
CID 115160506
N-(3-chloro-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807540
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61364086
2-(4-bromophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974020
N-(cyclobutylmethyl)-N-methyl-2-piperidin-2-ylacetamide
CID 115160515
N-(2-hydroxypropyl)-N-methyl-2-piperidin-2-ylacetamide
CID 62336961
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-piperidin-2-ylacetamide
CID 105418352

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide?
The IUPAC name of N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide (CID 115160465) is N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide?
The canonical SMILES for N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide is CN(C(=O)CC1CCCCN1)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide?
The InChIKey is ISBAEVPGONSNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-17(13-7-5-11(15)6-8-13)14(18)10-12-4-2-3-9-16-12/h5-8,12,16H,2-4,9-10H2,1H3.
What are the key properties of N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide?
N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide has a molecular weight of 311.22 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide is sourced from PubChem (CID 115160465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).