3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide

C23H26BrN3O3 — CID 112803125

IUPAC3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide
SMILESCC(=O)NC(CC(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C23H26BrN3O3/c1-16(28)25-21(17-7-9-19(24)10-8-17)15-22(29)26-20-11-13-27(14-12-20)23(30)18-5-3-2-4-6-18/h2-10,20-21H,11-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyNIWCGPJTZSJXRW-UHFFFAOYSA-N
MW472.38 g/mol
LogP3.44
Rot. Bonds6

About 3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide

3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide (PubChem CID 112803125) has the molecular formula C23H26BrN3O3 and a molecular weight of 472.38 g/mol. Its IUPAC name is 3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide
PubChem CID112803125
Molecular FormulaC23H26BrN3O3
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC Name3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide
SMILESCC(=O)NC(CC(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C23H26BrN3O3/c1-16(28)25-21(17-7-9-19(24)10-8-17)15-22(29)26-20-11-13-27(14-12-20)23(30)18-5-3-2-4-6-18/h2-10,20-21H,11-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyNIWCGPJTZSJXRW-UHFFFAOYSA-N
XLogP3.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119478278
3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389659
3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide
CID 112816640
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide
CID 108564071
(3R)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752328
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695
N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822989
3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide
CID 112773016
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-[(1S)-3-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-1-(4-bromophenyl)-3-oxopropyl]acetamide
CID 124611964

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide?
The IUPAC name of 3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide (CID 112803125) is 3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide is CC(=O)NC(CC(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide?
The InChIKey is NIWCGPJTZSJXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O3/c1-16(28)25-21(17-7-9-19(24)10-8-17)15-22(29)26-20-11-13-27(14-12-20)23(30)18-5-3-2-4-6-18/h2-10,20-21H,11-15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide?
3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide has a molecular weight of 472.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide is sourced from PubChem (CID 112803125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).