1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide

C13H14BrClN2O2 — CID 80948574

IUPAC1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C13H14BrClN2O2/c14-10-2-1-9(7-11(10)15)13(19)17-5-3-8(4-6-17)12(16)18/h1-2,7-8H,3-6H2,(H2,16,18)
InChIKeyWWMBLOGIJVTTDU-UHFFFAOYSA-N
MW345.62 g/mol
LogP2.44
Rot. Bonds2

About 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide

1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide (PubChem CID 80948574) has the molecular formula C13H14BrClN2O2 and a molecular weight of 345.62 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
PubChem CID80948574
Molecular FormulaC13H14BrClN2O2
Molecular Weight345.62 g/mol
Exact Mass343.99
IUPAC Name1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C13H14BrClN2O2/c14-10-2-1-9(7-11(10)15)13(19)17-5-3-8(4-6-17)12(16)18/h1-2,7-8H,3-6H2,(H2,16,18)
InChIKeyWWMBLOGIJVTTDU-UHFFFAOYSA-N
XLogP2.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide
CID 113259113
1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
CID 80961813
methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate
CID 80952645
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002096
(4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 80979556
(3-bromo-4-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107993546
1-(4-bromo-3-chlorobenzoyl)piperidin-4-one
CID 81295410
(4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646480
1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide
CID 31307506
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
6-azaspiro[2.5]octan-6-yl-(4-bromo-3-chlorophenyl)methanone
CID 167530662

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide (CID 80948574) is 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1.
What is the InChIKey of 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide?
The InChIKey is WWMBLOGIJVTTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2/c14-10-2-1-9(7-11(10)15)13(19)17-5-3-8(4-6-17)12(16)18/h1-2,7-8H,3-6H2,(H2,16,18).
What are the key properties of 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide?
1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide has a molecular weight of 345.62 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 80948574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).