N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide

C15H18BrN3O — CID 95154756

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O/c1-11(13-2-4-14(16)5-3-13)18-15(20)19-8-6-12(10-17)7-9-19/h2-5,11-12H,6-9H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyIOVIAGKBKSCEGT-LLVKDONJSA-N
MW336.23 g/mol
LogP3.46
Rot. Bonds2

About N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide

N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide (PubChem CID 95154756) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide
PubChem CID95154756
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O/c1-11(13-2-4-14(16)5-3-13)18-15(20)19-8-6-12(10-17)7-9-19/h2-5,11-12H,6-9H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyIOVIAGKBKSCEGT-LLVKDONJSA-N
XLogP3.46
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide (CID 95154756) is N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide is C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide?
The InChIKey is IOVIAGKBKSCEGT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-11(13-2-4-14(16)5-3-13)18-15(20)19-8-6-12(10-17)7-9-19/h2-5,11-12H,6-9H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide is sourced from PubChem (CID 95154756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).