N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide

C15H18Br2N2O2 — CID 103882520

IUPACN-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C15H18Br2N2O2/c1-2-14(20)18-11-5-7-19(8-6-11)15(21)12-4-3-10(16)9-13(12)17/h3-4,9,11H,2,5-8H2,1H3,(H,18,20)
InChIKeyIIVVISDKIDUBCI-UHFFFAOYSA-N
MW418.13 g/mol
LogP3.34
Rot. Bonds3

About N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide

N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide (PubChem CID 103882520) has the molecular formula C15H18Br2N2O2 and a molecular weight of 418.13 g/mol. Its IUPAC name is N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide
PubChem CID103882520
Molecular FormulaC15H18Br2N2O2
Molecular Weight418.13 g/mol
Exact Mass415.97
IUPAC NameN-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C15H18Br2N2O2/c1-2-14(20)18-11-5-7-19(8-6-11)15(21)12-4-3-10(16)9-13(12)17/h3-4,9,11H,2,5-8H2,1H3,(H,18,20)
InChIKeyIIVVISDKIDUBCI-UHFFFAOYSA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.13
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 106544278
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 113345204
N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 103754574
[4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107939826
methyl 4-(2,4-dibromobenzoyl)piperazine-1-carboxylate
CID 103882580
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide
CID 108558019
1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107940588
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone
CID 103882393
(2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 103883074
(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113345359

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide (CID 103882520) is N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C(=O)c2ccc(Br)cc2Br)CC1.
What is the InChIKey of N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide?
The InChIKey is IIVVISDKIDUBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2O2/c1-2-14(20)18-11-5-7-19(8-6-11)15(21)12-4-3-10(16)9-13(12)17/h3-4,9,11H,2,5-8H2,1H3,(H,18,20).
What are the key properties of N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide?
N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide has a molecular weight of 418.13 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 103882520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).