N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide

C16H24BrN3O — CID 102736044

IUPACN-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(CN)c2ccccc2Br)CC1
InChIInChI=1S/C16H24BrN3O/c1-12(21)19-11-13-6-8-20(9-7-13)16(10-18)14-4-2-3-5-15(14)17/h2-5,13,16H,6-11,18H2,1H3,(H,19,21)
InChIKeyAKPXQYIGFOLWHC-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.30
Rot. Bonds5

About N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide

N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736044) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736044
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC NameN-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(CN)c2ccccc2Br)CC1
InChIInChI=1S/C16H24BrN3O/c1-12(21)19-11-13-6-8-20(9-7-13)16(10-18)14-4-2-3-5-15(14)17/h2-5,13,16H,6-11,18H2,1H3,(H,19,21)
InChIKeyAKPXQYIGFOLWHC-UHFFFAOYSA-N
XLogP2.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol
CID 55022489
N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 113223431
tert-butyl 4-[2-amino-1-(2-bromophenyl)ethyl]piperazine-1-carboxylate
CID 104933462
N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide
CID 102736626
2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine
CID 62133000
N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide
CID 102736048
N-[(1-phenacylpiperidin-4-yl)methyl]acetamide
CID 102736676
1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103355424
N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide
CID 106544352
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide
CID 55841833
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 113223577

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide (CID 102736044) is N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(CN)c2ccccc2Br)CC1.
What is the InChIKey of N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is AKPXQYIGFOLWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-12(21)19-11-13-6-8-20(9-7-13)16(10-18)14-4-2-3-5-15(14)17/h2-5,13,16H,6-11,18H2,1H3,(H,19,21).
What are the key properties of N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 354.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).