N-(3-bromophenyl)piperidine-4-carboxamide

C12H15BrN2O — CID 18071633

IUPACN-(3-bromophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCNCC1
InChIInChI=1S/C12H15BrN2O/c13-10-2-1-3-11(8-10)15-12(16)9-4-6-14-7-5-9/h1-3,8-9,14H,4-7H2,(H,15,16)
InChIKeyPNZFKESQFYGSLC-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.39
Rot. Bonds2

About N-(3-bromophenyl)piperidine-4-carboxamide

N-(3-bromophenyl)piperidine-4-carboxamide (PubChem CID 18071633) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(3-bromophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)piperidine-4-carboxamide
PubChem CID18071633
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(3-bromophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCNCC1
InChIInChI=1S/C12H15BrN2O/c13-10-2-1-3-11(8-10)15-12(16)9-4-6-14-7-5-9/h1-3,8-9,14H,4-7H2,(H,15,16)
InChIKeyPNZFKESQFYGSLC-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)piperidine-4-carboxamide (CID 18071633) is N-(3-bromophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)piperidine-4-carboxamide is O=C(Nc1cccc(Br)c1)C1CCNCC1.
What is the InChIKey of N-(3-bromophenyl)piperidine-4-carboxamide?
The InChIKey is PNZFKESQFYGSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-10-2-1-3-11(8-10)15-12(16)9-4-6-14-7-5-9/h1-3,8-9,14H,4-7H2,(H,15,16).
What are the key properties of N-(3-bromophenyl)piperidine-4-carboxamide?
N-(3-bromophenyl)piperidine-4-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 18071633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).