3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

C17H25BrClN3O2 — CID 119463786

IUPAC3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NCC1CCCNC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H24BrN3O2.ClH/c1-12(22)21-16(14-4-6-15(18)7-5-14)9-17(23)20-11-13-3-2-8-19-10-13;/h4-7,13,16,19H,2-3,8-11H2,1H3,(H,20,23)(H,21,22);1H
InChIKeyKRSQJLKIKNQIDM-UHFFFAOYSA-N
MW418.76 g/mol
LogP2.55
Rot. Bonds6

About 3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 119463786) has the molecular formula C17H25BrClN3O2 and a molecular weight of 418.76 g/mol. Its IUPAC name is 3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
PubChem CID119463786
Molecular FormulaC17H25BrClN3O2
Molecular Weight418.76 g/mol
Exact Mass417.08
IUPAC Name3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NCC1CCCNC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H24BrN3O2.ClH/c1-12(22)21-16(14-4-6-15(18)7-5-14)9-17(23)20-11-13-3-2-8-19-10-13;/h4-7,13,16,19H,2-3,8-11H2,1H3,(H,20,23)(H,21,22);1H
InChIKeyKRSQJLKIKNQIDM-UHFFFAOYSA-N
XLogP2.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.76
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide
CID 119461783
3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389659
4-(4-bromophenyl)sulfanyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119461530
3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577272
3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119478278
3-phenyl-N-(piperidin-3-ylmethyl)pentanamide
CID 119464003
3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120946780
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 120943111
3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119460874
4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462344
3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (CID 119463786) is 3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is CC(=O)NC(CC(=O)NCC1CCCNC1)c1ccc(Br)cc1.Cl.
What is the InChIKey of 3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is KRSQJLKIKNQIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2.ClH/c1-12(22)21-16(14-4-6-15(18)7-5-14)9-17(23)20-11-13-3-2-8-19-10-13;/h4-7,13,16,19H,2-3,8-11H2,1H3,(H,20,23)(H,21,22);1H.
What are the key properties of 3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 418.76 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119463786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).