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

C15H21BrN2O — CID 113223431

IUPACN-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C15H21BrN2O/c1-12(19)17-10-13-6-8-18(9-7-13)11-14-4-2-3-5-15(14)16/h2-5,13H,6-11H2,1H3,(H,17,19)
InChIKeyUOIKNSSIMLMPJI-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.80
Rot. Bonds4

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

N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 113223431) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID113223431
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C15H21BrN2O/c1-12(19)17-10-13-6-8-18(9-7-13)11-14-4-2-3-5-15(14)16/h2-5,13H,6-11H2,1H3,(H,17,19)
InChIKeyUOIKNSSIMLMPJI-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55138055
N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736075
N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95217230
N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 102736044
N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736031
N-[(1-phenacylpiperidin-4-yl)methyl]acetamide
CID 102736676
N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 102737029
N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998
N-[[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103728195
4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 102736546
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[[1-[[4-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 70774921

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide (CID 113223431) is N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(Cc2ccccc2Br)CC1.
What is the InChIKey of N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is UOIKNSSIMLMPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-12(19)17-10-13-6-8-18(9-7-13)11-14-4-2-3-5-15(14)16/h2-5,13H,6-11H2,1H3,(H,17,19).
What are the key properties of N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 325.25 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 113223431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).