N-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide

C24H34BrN3O3 — CID 93231281

IUPACN-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C24H34BrN3O3/c1-17(2)15-21(29)26-22(24(31)27-11-4-3-5-12-27)18-9-13-28(14-10-18)23(30)19-7-6-8-20(25)16-19/h6-8,16-18,22H,3-5,9-15H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyHOIIIXLNSVZSSC-JOCHJYFZSA-N
MW492.46 g/mol
LogP3.84
Rot. Bonds6

About N-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide

N-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide (PubChem CID 93231281) has the molecular formula C24H34BrN3O3 and a molecular weight of 492.46 g/mol. Its IUPAC name is N-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide
PubChem CID93231281
Molecular FormulaC24H34BrN3O3
Molecular Weight492.46 g/mol
Exact Mass491.18
IUPAC NameN-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C24H34BrN3O3/c1-17(2)15-21(29)26-22(24(31)27-11-4-3-5-12-27)18-9-13-28(14-10-18)23(30)19-7-6-8-20(25)16-19/h6-8,16-18,22H,3-5,9-15H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyHOIIIXLNSVZSSC-JOCHJYFZSA-N
XLogP3.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide with MolForge

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Related Compounds

4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 46032282
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199232
N-[(1S)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93182891
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 46020400
N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 93199610
N-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide
CID 46015981
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 93199975
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide
CID 93198046
3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198790
N-[[3-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-methylbutanamide
CID 26159915
N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93182939

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide?
The IUPAC name of N-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide (CID 93231281) is N-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide.
What is the SMILES notation for N-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide?
The canonical SMILES for N-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide is CC(C)CC(=O)N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of N-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide?
The InChIKey is HOIIIXLNSVZSSC-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H34BrN3O3/c1-17(2)15-21(29)26-22(24(31)27-11-4-3-5-12-27)18-9-13-28(14-10-18)23(30)19-7-6-8-20(25)16-19/h6-8,16-18,22H,3-5,9-15H2,1-2H3,(H,26,29)/t22-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide?
N-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide has a molecular weight of 492.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide is sourced from PubChem (CID 93231281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).