N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide

C24H27BrN2O3 — CID 42934338

IUPACN-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide
SMILESCC(C)C(NC(=O)c1ccc(Br)cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C24H27BrN2O3/c1-16(2)21(26-23(29)19-8-10-20(25)11-9-19)24(30)27-14-12-18(13-15-27)22(28)17-6-4-3-5-7-17/h3-11,16,18,21H,12-15H2,1-2H3,(H,26,29)
InChIKeyMKYPTINADPDGQO-UHFFFAOYSA-N
MW471.40 g/mol
LogP4.32
Rot. Bonds6

About N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide

N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide (PubChem CID 42934338) has the molecular formula C24H27BrN2O3 and a molecular weight of 471.40 g/mol. Its IUPAC name is N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide
PubChem CID42934338
Molecular FormulaC24H27BrN2O3
Molecular Weight471.40 g/mol
Exact Mass470.12
IUPAC NameN-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide
SMILESCC(C)C(NC(=O)c1ccc(Br)cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C24H27BrN2O3/c1-16(2)21(26-23(29)19-8-10-20(25)11-9-19)24(30)27-14-12-18(13-15-27)22(28)17-6-4-3-5-7-17/h3-11,16,18,21H,12-15H2,1-2H3,(H,26,29)
InChIKeyMKYPTINADPDGQO-UHFFFAOYSA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25496758
N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 25473963
2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 25474499
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337
N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55501604
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide
CID 55520284
1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 119699755
N-[(2S)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 31611312
N-[(2S)-1-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942986
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808213
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
(2S)-1-[(2S)-2-benzamido-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 126678475

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide?
The IUPAC name of N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide (CID 42934338) is N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide.
What is the SMILES notation for N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide?
The canonical SMILES for N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide is CC(C)C(NC(=O)c1ccc(Br)cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide?
The InChIKey is MKYPTINADPDGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN2O3/c1-16(2)21(26-23(29)19-8-10-20(25)11-9-19)24(30)27-14-12-18(13-15-27)22(28)17-6-4-3-5-7-17/h3-11,16,18,21H,12-15H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide?
N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide has a molecular weight of 471.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide is sourced from PubChem (CID 42934338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).