N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride

C16H24BrClN2O — CID 2900213

IUPACN-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride
SMILESCC1CC(C)CN(CCC(=O)Nc2ccc(Br)cc2)C1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-12-9-13(2)11-19(10-12)8-7-16(20)18-15-5-3-14(17)4-6-15;/h3-6,12-13H,7-11H2,1-2H3,(H,18,20);1H
InChIKeyXQESCHFXROUCOQ-UHFFFAOYSA-N
MW375.74 g/mol
LogP4.18
Rot. Bonds4

About N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride

N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride (PubChem CID 2900213) has the molecular formula C16H24BrClN2O and a molecular weight of 375.74 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride
PubChem CID2900213
Molecular FormulaC16H24BrClN2O
Molecular Weight375.74 g/mol
Exact Mass374.08
IUPAC NameN-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride
SMILESCC1CC(C)CN(CCC(=O)Nc2ccc(Br)cc2)C1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-12-9-13(2)11-19(10-12)8-7-16(20)18-15-5-3-14(17)4-6-15;/h3-6,12-13H,7-11H2,1-2H3,(H,18,20);1H
InChIKeyXQESCHFXROUCOQ-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Propanamide, N-(4-bromophenyl)-2-methyl-
CID 532135
Nbd-557
CID 5279270
N-(4-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
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Bromamid
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N-(4-Bromophenyl)-2-(1-piperidinyl)acetamide
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CID 3145276
3-(3,5-Dimethyl-piperidin-1-yl)-N-m-tolyl-propionamide
CID 24747083
N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 4306285
N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 9549367
N-(3-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 660492

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride (CID 2900213) is N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride is CC1CC(C)CN(CCC(=O)Nc2ccc(Br)cc2)C1.Cl.
What is the InChIKey of N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride?
The InChIKey is XQESCHFXROUCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O.ClH/c1-12-9-13(2)11-19(10-12)8-7-16(20)18-15-5-3-14(17)4-6-15;/h3-6,12-13H,7-11H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride?
N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 2900213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).