3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride

C15H22BrClN2O — CID 120554616

IUPAC3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCc1cccc(Br)c1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-11-10-17-8-7-14(11)18-15(19)6-5-12-3-2-4-13(16)9-12;/h2-4,9,11,14,17H,5-8,10H2,1H3,(H,18,19);1H
InChIKeyMCEUOHILWRLQQH-UHFFFAOYSA-N
MW361.71 g/mol
LogP2.92
Rot. Bonds4

About 3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride

3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride (PubChem CID 120554616) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
PubChem CID120554616
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCc1cccc(Br)c1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-11-10-17-8-7-14(11)18-15(19)6-5-12-3-2-4-13(16)9-12;/h2-4,9,11,14,17H,5-8,10H2,1H3,(H,18,19);1H
InChIKeyMCEUOHILWRLQQH-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

N-(3-methylpiperidin-4-yl)-3-naphthalen-2-ylpropanamide;hydrochloride
CID 120554205
N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide
CID 120553171
4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120554975
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120554957
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide
CID 120553920
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859
N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 120555490
3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The IUPAC name of 3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride (CID 120554616) is 3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride is CC1CNCCC1NC(=O)CCc1cccc(Br)c1.Cl.
What is the InChIKey of 3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The InChIKey is MCEUOHILWRLQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c1-11-10-17-8-7-14(11)18-15(19)6-5-12-3-2-4-13(16)9-12;/h2-4,9,11,14,17H,5-8,10H2,1H3,(H,18,19);1H.
What are the key properties of 3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 120554616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).