N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide

C17H21BrN2O3 — CID 51203664

IUPACN-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide
SMILESCC(=O)N1CCC(NC(=O)CCC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H21BrN2O3/c1-12(21)20-10-8-15(9-11-20)19-17(23)7-6-16(22)13-2-4-14(18)5-3-13/h2-5,15H,6-11H2,1H3,(H,19,23)
InChIKeyMCSRDVUDZQYNRD-UHFFFAOYSA-N
MW381.27 g/mol
LogP2.54
Rot. Bonds5

About N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide

N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide (PubChem CID 51203664) has the molecular formula C17H21BrN2O3 and a molecular weight of 381.27 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide
PubChem CID51203664
Molecular FormulaC17H21BrN2O3
Molecular Weight381.27 g/mol
Exact Mass380.07
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide
SMILESCC(=O)N1CCC(NC(=O)CCC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H21BrN2O3/c1-12(21)20-10-8-15(9-11-20)19-17(23)7-6-16(22)13-2-4-14(18)5-3-13/h2-5,15H,6-11H2,1H3,(H,19,23)
InChIKeyMCSRDVUDZQYNRD-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
CID 108560462
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084
N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556360
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552093
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide
CID 108564071
N-[1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 60607207
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556085
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide
CID 108562846
3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556176
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
CID 55689710

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide (CID 51203664) is N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide is CC(=O)N1CCC(NC(=O)CCC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide?
The InChIKey is MCSRDVUDZQYNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O3/c1-12(21)20-10-8-15(9-11-20)19-17(23)7-6-16(22)13-2-4-14(18)5-3-13/h2-5,15H,6-11H2,1H3,(H,19,23).
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide?
N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide has a molecular weight of 381.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide is sourced from PubChem (CID 51203664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).