2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

C14H20BrClN2O — CID 75417754

IUPAC2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(Br)c1)NCC1CCCNC1
InChIInChI=1S/C14H19BrN2O.ClH/c15-13-5-1-3-11(7-13)8-14(18)17-10-12-4-2-6-16-9-12;/h1,3,5,7,12,16H,2,4,6,8-10H2,(H,17,18);1H
InChIKeyNHKTUYHDYPORFR-UHFFFAOYSA-N
MW347.68 g/mol
LogP2.53
Rot. Bonds4

About 2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 75417754) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID75417754
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(Br)c1)NCC1CCCNC1
InChIInChI=1S/C14H19BrN2O.ClH/c15-13-5-1-3-11(7-13)8-14(18)17-10-12-4-2-6-16-9-12;/h1,3,5,7,12,16H,2,4,6,8-10H2,(H,17,18);1H
InChIKeyNHKTUYHDYPORFR-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406
2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119460923
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride
CID 86812954
2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
CID 119461967
methyl 3-[2-oxo-2-(pyrrolidin-3-ylmethylamino)ethyl]benzoate;hydrochloride
CID 166238732
2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide
CID 114317384
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462305
3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464662

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 75417754) is 2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is Cl.O=C(Cc1cccc(Br)c1)NCC1CCCNC1.
What is the InChIKey of 2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is NHKTUYHDYPORFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O.ClH/c15-13-5-1-3-11(7-13)8-14(18)17-10-12-4-2-6-16-9-12;/h1,3,5,7,12,16H,2,4,6,8-10H2,(H,17,18);1H.
What are the key properties of 2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 347.68 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 75417754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).