3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

C15H22BrClN2O — CID 119462406

IUPAC3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1cccc(Br)c1)NCC1CCCNC1
InChIInChI=1S/C15H21BrN2O.ClH/c16-14-5-1-3-12(9-14)6-7-15(19)18-11-13-4-2-8-17-10-13;/h1,3,5,9,13,17H,2,4,6-8,10-11H2,(H,18,19);1H
InChIKeyPVKRNLHXKACTKN-UHFFFAOYSA-N
MW361.71 g/mol
LogP2.92
Rot. Bonds5

About 3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 119462406) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
PubChem CID119462406
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1cccc(Br)c1)NCC1CCCNC1
InChIInChI=1S/C15H21BrN2O.ClH/c16-14-5-1-3-12(9-14)6-7-15(19)18-11-13-4-2-8-17-10-13;/h1,3,5,9,13,17H,2,4,6-8,10-11H2,(H,18,19);1H
InChIKeyPVKRNLHXKACTKN-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119460321
3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464662
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80563288
2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119460923
3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119464205
3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461638
2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride
CID 86812954
3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554616
3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide
CID 119462114
4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119462608

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (CID 119462406) is 3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is Cl.O=C(CCc1cccc(Br)c1)NCC1CCCNC1.
What is the InChIKey of 3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is PVKRNLHXKACTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c16-14-5-1-3-12(9-14)6-7-15(19)18-11-13-4-2-8-17-10-13;/h1,3,5,9,13,17H,2,4,6-8,10-11H2,(H,18,19);1H.
What are the key properties of 3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119462406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).