N-(4-bromophenyl)piperidine-1-carboxamide

C12H15BrN2O — CID 694497

IUPACN-(4-bromophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C12H15BrN2O/c13-10-4-6-11(7-5-10)14-12(16)15-8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H,14,16)
InChIKeyLNBWMZSSEJQSNM-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.47
Rot. Bonds1

About N-(4-bromophenyl)piperidine-1-carboxamide

N-(4-bromophenyl)piperidine-1-carboxamide (PubChem CID 694497) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(4-bromophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)piperidine-1-carboxamide
PubChem CID694497
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(4-bromophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C12H15BrN2O/c13-10-4-6-11(7-5-10)14-12(16)15-8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H,14,16)
InChIKeyLNBWMZSSEJQSNM-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)piperidine-1-carboxamide (CID 694497) is N-(4-bromophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(Br)cc1)N1CCCCC1.
What is the InChIKey of N-(4-bromophenyl)piperidine-1-carboxamide?
The InChIKey is LNBWMZSSEJQSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-10-4-6-11(7-5-10)14-12(16)15-8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H,14,16).
What are the key properties of N-(4-bromophenyl)piperidine-1-carboxamide?
N-(4-bromophenyl)piperidine-1-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 694497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).