3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

C15H21BrCl2N2O — CID 119461638

IUPAC3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1cc(Cl)ccc1Br)NCC1CCCNC1
InChIInChI=1S/C15H20BrClN2O.ClH/c16-14-5-4-13(17)8-12(14)3-6-15(20)19-10-11-2-1-7-18-9-11;/h4-5,8,11,18H,1-3,6-7,9-10H2,(H,19,20);1H
InChIKeyXOKRTFBVUDXDEP-UHFFFAOYSA-N
MW396.16 g/mol
LogP3.57
Rot. Bonds5

About 3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 119461638) has the molecular formula C15H21BrCl2N2O and a molecular weight of 396.16 g/mol. Its IUPAC name is 3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
PubChem CID119461638
Molecular FormulaC15H21BrCl2N2O
Molecular Weight396.16 g/mol
Exact Mass394.02
IUPAC Name3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1cc(Cl)ccc1Br)NCC1CCCNC1
InChIInChI=1S/C15H20BrClN2O.ClH/c16-14-5-4-13(17)8-12(14)3-6-15(20)19-10-11-2-1-7-18-9-11;/h4-5,8,11,18H,1-3,6-7,9-10H2,(H,19,20);1H
InChIKeyXOKRTFBVUDXDEP-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.16
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765
3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406
3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464662
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
CID 119476172
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119462608
2-[(4-chlorophenyl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462416
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460553
4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide
CID 119464147
3-(2,4-dichlorophenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428293

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (CID 119461638) is 3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is Cl.O=C(CCc1cc(Cl)ccc1Br)NCC1CCCNC1.
What is the InChIKey of 3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is XOKRTFBVUDXDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O.ClH/c16-14-5-4-13(17)8-12(14)3-6-15(20)19-10-11-2-1-7-18-9-11;/h4-5,8,11,18H,1-3,6-7,9-10H2,(H,19,20);1H.
What are the key properties of 3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 396.16 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119461638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).