2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide

C15H22BrN3O — CID 38056666

IUPAC2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2ccccc2Br)CC1
InChIInChI=1S/C15H22BrN3O/c1-17-15(20)11-19-8-6-13(7-9-19)18-10-12-4-2-3-5-14(12)16/h2-5,13,18H,6-11H2,1H3,(H,17,20)
InChIKeyJHVWNORWQKVXDA-UHFFFAOYSA-N
MW340.26 g/mol
LogP1.75
Rot. Bonds5

About 2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide

2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 38056666) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID38056666
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2ccccc2Br)CC1
InChIInChI=1S/C15H22BrN3O/c1-17-15(20)11-19-8-6-13(7-9-19)18-10-12-4-2-3-5-14(12)16/h2-5,13,18H,6-11H2,1H3,(H,17,20)
InChIKeyJHVWNORWQKVXDA-UHFFFAOYSA-N
XLogP1.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[4-(naphthalen-1-ylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 51079563
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 103792554
N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide
CID 136514785
2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 66472599
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
2-[4-[(4-bromo-5-methylthiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 102832453
N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61402160
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 63001894
4-[(2-bromophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810049
N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411136
2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
CID 66416889

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide (CID 38056666) is 2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NCc2ccccc2Br)CC1.
What is the InChIKey of 2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is JHVWNORWQKVXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-17-15(20)11-19-8-6-13(7-9-19)18-10-12-4-2-3-5-14(12)16/h2-5,13,18H,6-11H2,1H3,(H,17,20).
What are the key properties of 2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide?
2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 340.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 38056666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).