N-(3,5-dibromobenzoyl)piperidine-1-carboxamide

C13H14Br2N2O2 — CID 2741479

IUPACN-(3,5-dibromobenzoyl)piperidine-1-carboxamide
SMILESO=C(NC(=O)N1CCCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H14Br2N2O2/c14-10-6-9(7-11(15)8-10)12(18)16-13(19)17-4-2-1-3-5-17/h6-8H,1-5H2,(H,16,18,19)
InChIKeyBKGLPNLEGUMLAB-UHFFFAOYSA-N
MW390.08 g/mol
LogP3.55
Rot. Bonds1

About N-(3,5-dibromobenzoyl)piperidine-1-carboxamide

N-(3,5-dibromobenzoyl)piperidine-1-carboxamide (PubChem CID 2741479) has the molecular formula C13H14Br2N2O2 and a molecular weight of 390.08 g/mol. Its IUPAC name is N-(3,5-dibromobenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dibromobenzoyl)piperidine-1-carboxamide
PubChem CID2741479
Molecular FormulaC13H14Br2N2O2
Molecular Weight390.08 g/mol
Exact Mass387.94
IUPAC NameN-(3,5-dibromobenzoyl)piperidine-1-carboxamide
SMILESO=C(NC(=O)N1CCCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H14Br2N2O2/c14-10-6-9(7-11(15)8-10)12(18)16-13(19)17-4-2-1-3-5-17/h6-8H,1-5H2,(H,16,18,19)
InChIKeyBKGLPNLEGUMLAB-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.08
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzoyl-1-piperidinecarboxamide
CID 974065
N-(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)m-bromobenzamide
CID 2148535
6-[3-(3-Bromo-benzoyl)-ureido]-hexanoic acid hydroxyamide
CID 46890584
3-bromo-N-(4-ethylpiperazine-1-carbothioyl)benzamide
CID 2396882
N-benzoyl-4-methyl-1-piperidinecarboxamide
CID 2987746
1-(3-Bromobenzoyl)-4-(1-piperidinylcarbonyl)piperazine
CID 1302053
2-bromo-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)benzamide
CID 2148483
N-benzyl-3-bromobenzamide
CID 787882
Urea, (m-bromobenzoyl)-
CID 3040256
3-bromo-N-(6-hydroxy-2-pyridyl)benzamide
CID 3011462
1-Benzoyl-4-(3,5-dibromobenzoyl)piperazine
CID 569283
1-(3-Bromobenzoyl)piperidine
CID 787098

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromobenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-(3,5-dibromobenzoyl)piperidine-1-carboxamide (CID 2741479) is N-(3,5-dibromobenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dibromobenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3,5-dibromobenzoyl)piperidine-1-carboxamide is O=C(NC(=O)N1CCCCC1)c1cc(Br)cc(Br)c1.
What is the InChIKey of N-(3,5-dibromobenzoyl)piperidine-1-carboxamide?
The InChIKey is BKGLPNLEGUMLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O2/c14-10-6-9(7-11(15)8-10)12(18)16-13(19)17-4-2-1-3-5-17/h6-8H,1-5H2,(H,16,18,19).
What are the key properties of N-(3,5-dibromobenzoyl)piperidine-1-carboxamide?
N-(3,5-dibromobenzoyl)piperidine-1-carboxamide has a molecular weight of 390.08 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromobenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 2741479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).