2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide

C17H26BrN3O — CID 119926046

IUPAC2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCCC(C)C1CN)c1ccc(Br)cc1
InChIInChI=1S/C17H26BrN3O/c1-12-4-3-9-21(16(12)10-19)11-17(22)20-13(2)14-5-7-15(18)8-6-14/h5-8,12-13,16H,3-4,9-11,19H2,1-2H3,(H,20,22)
InChIKeyTUYGHSKSHYVEFA-UHFFFAOYSA-N
MW368.32 g/mol
LogP2.69
Rot. Bonds5

About 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide

2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide (PubChem CID 119926046) has the molecular formula C17H26BrN3O and a molecular weight of 368.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide
PubChem CID119926046
Molecular FormulaC17H26BrN3O
Molecular Weight368.32 g/mol
Exact Mass367.13
IUPAC Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCCC(C)C1CN)c1ccc(Br)cc1
InChIInChI=1S/C17H26BrN3O/c1-12-4-3-9-21(16(12)10-19)11-17(22)20-13(2)14-5-7-15(18)8-6-14/h5-8,12-13,16H,3-4,9-11,19H2,1-2H3,(H,20,22)
InChIKeyTUYGHSKSHYVEFA-UHFFFAOYSA-N
XLogP2.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788189
(3S)-1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9305169
2-[3-(1-aminoethyl)piperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide;hydrochloride
CID 119925580
(3R)-1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 124693934
1-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907579
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 119926119
N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119753177
2-[4,7-bis[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 100946771
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 81359839
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119925971
methyl 2-[1-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 46820560
2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 124739814

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide (CID 119926046) is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide is CC(NC(=O)CN1CCCC(C)C1CN)c1ccc(Br)cc1.
What is the InChIKey of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide?
The InChIKey is TUYGHSKSHYVEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O/c1-12-4-3-9-21(16(12)10-19)11-17(22)20-13(2)14-5-7-15(18)8-6-14/h5-8,12-13,16H,3-4,9-11,19H2,1-2H3,(H,20,22).
What are the key properties of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide?
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide has a molecular weight of 368.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide is sourced from PubChem (CID 119926046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).