N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide

C20H21BrN4O — CID 16588287

IUPACN-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1Br
InChIInChI=1S/C20H21BrN4O/c1-14(17-4-2-3-5-18(17)21)24-20(26)16-8-10-25(11-9-16)19-7-6-15(12-22)13-23-19/h2-7,13-14,16H,8-11H2,1H3,(H,24,26)
InChIKeyIYEWGPLPGFOUNZ-UHFFFAOYSA-N
MW413.32 g/mol
LogP3.81
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide

N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 16588287) has the molecular formula C20H21BrN4O and a molecular weight of 413.32 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
PubChem CID16588287
Molecular FormulaC20H21BrN4O
Molecular Weight413.32 g/mol
Exact Mass412.09
IUPAC NameN-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1Br
InChIInChI=1S/C20H21BrN4O/c1-14(17-4-2-3-5-18(17)21)24-20(26)16-8-10-25(11-9-16)19-7-6-15(12-22)13-23-19/h2-7,13-14,16H,8-11H2,1H3,(H,24,26)
InChIKeyIYEWGPLPGFOUNZ-UHFFFAOYSA-N
XLogP3.81
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide (CID 16588287) is N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is IYEWGPLPGFOUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O/c1-14(17-4-2-3-5-18(17)21)24-20(26)16-8-10-25(11-9-16)19-7-6-15(12-22)13-23-19/h2-7,13-14,16H,8-11H2,1H3,(H,24,26).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 413.32 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 16588287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).