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

C12H15BrN2O — CID 82307410

IUPAC4-(3-bromophenyl)piperidine-4-carboxamide
SMILESNC(=O)C1(c2cccc(Br)c2)CCNCC1
InChIInChI=1S/C12H15BrN2O/c13-10-3-1-2-9(8-10)12(11(14)16)4-6-15-7-5-12/h1-3,8,15H,4-7H2,(H2,14,16)
InChIKeyLEHVRYGIMSJCLU-UHFFFAOYSA-N
MW283.17 g/mol
LogP1.56
Rot. Bonds2

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

4-(3-bromophenyl)piperidine-4-carboxamide (PubChem CID 82307410) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 4-(3-bromophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(3-bromophenyl)piperidine-4-carboxamide
PubChem CID82307410
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name4-(3-bromophenyl)piperidine-4-carboxamide
SMILESNC(=O)C1(c2cccc(Br)c2)CCNCC1
InChIInChI=1S/C12H15BrN2O/c13-10-3-1-2-9(8-10)12(11(14)16)4-6-15-7-5-12/h1-3,8,15H,4-7H2,(H2,14,16)
InChIKeyLEHVRYGIMSJCLU-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)piperidine-4-carboxamide?
The IUPAC name of 4-(3-bromophenyl)piperidine-4-carboxamide (CID 82307410) is 4-(3-bromophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(3-bromophenyl)piperidine-4-carboxamide?
The canonical SMILES for 4-(3-bromophenyl)piperidine-4-carboxamide is NC(=O)C1(c2cccc(Br)c2)CCNCC1.
What is the InChIKey of 4-(3-bromophenyl)piperidine-4-carboxamide?
The InChIKey is LEHVRYGIMSJCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-10-3-1-2-9(8-10)12(11(14)16)4-6-15-7-5-12/h1-3,8,15H,4-7H2,(H2,14,16).
What are the key properties of 4-(3-bromophenyl)piperidine-4-carboxamide?
4-(3-bromophenyl)piperidine-4-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 82307410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).