1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide

C16H22BrN3O2 — CID 78787606

IUPAC1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
SMILESCN(CC(=O)N1CCC(C(N)=O)CC1)Cc1ccccc1Br
InChIInChI=1S/C16H22BrN3O2/c1-19(10-13-4-2-3-5-14(13)17)11-15(21)20-8-6-12(7-9-20)16(18)22/h2-5,12H,6-11H2,1H3,(H2,18,22)
InChIKeyDPHSWSLLEPPVQY-UHFFFAOYSA-N
MW368.28 g/mol
LogP1.60
Rot. Bonds5

About 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide

1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide (PubChem CID 78787606) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
PubChem CID78787606
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
SMILESCN(CC(=O)N1CCC(C(N)=O)CC1)Cc1ccccc1Br
InChIInChI=1S/C16H22BrN3O2/c1-19(10-13-4-2-3-5-14(13)17)11-15(21)20-8-6-12(7-9-20)16(18)22/h2-5,12H,6-11H2,1H3,(H2,18,22)
InChIKeyDPHSWSLLEPPVQY-UHFFFAOYSA-N
XLogP1.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24565676
1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530726
1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone
CID 112536864
1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
CID 51171015
3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 62543752
2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 47006721
1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 78791327
2-[(2-amino-6-bromophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438813
3-bromo-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzoic acid
CID 102767199
N-[(2-bromophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854082
1-[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]piperidine-4-carboxamide
CID 92684224
2-(2-bromophenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002935

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide (CID 78787606) is 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide is CN(CC(=O)N1CCC(C(N)=O)CC1)Cc1ccccc1Br.
What is the InChIKey of 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide?
The InChIKey is DPHSWSLLEPPVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c1-19(10-13-4-2-3-5-14(13)17)11-15(21)20-8-6-12(7-9-20)16(18)22/h2-5,12H,6-11H2,1H3,(H2,18,22).
What are the key properties of 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide?
1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide has a molecular weight of 368.28 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 78787606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).