1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide

C14H19BrN2O2 — CID 9442914

IUPAC1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCOc2cccc(Br)c2)CC1
InChIInChI=1S/C14H19BrN2O2/c15-12-2-1-3-13(10-12)19-9-8-17-6-4-11(5-7-17)14(16)18/h1-3,10-11H,4-9H2,(H2,16,18)
InChIKeyZCUICUNSNHJRKF-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.03
Rot. Bonds5

About 1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide

1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 9442914) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide
PubChem CID9442914
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCOc2cccc(Br)c2)CC1
InChIInChI=1S/C14H19BrN2O2/c15-12-2-1-3-13(10-12)19-9-8-17-6-4-11(5-7-17)14(16)18/h1-3,10-11H,4-9H2,(H2,16,18)
InChIKeyZCUICUNSNHJRKF-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromophenoxy)ethyl]pyrrolidine-3-carboxamide
CID 103617459
1-[2-(3-bromophenoxy)ethyl]piperidine;oxalic acid
CID 2924023
1-[2-(3-bromophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440742
4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine
CID 106838322
1-[2-(3-bromophenoxy)ethyl]-3-pyrrolidin-1-ylpyrrolidine
CID 62959239
1-[2-(3-bromophenoxy)ethyl]azepane-2-carboxylic acid
CID 64561789
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
(2S)-1-[2-(3-bromophenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049033
2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol
CID 63309734
[1-[2-(3-bromophenoxy)ethyl]piperidin-4-yl] 3-methoxybutanoate
CID 102562742
[4-[2-(3-bromophenoxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 78789266
2-[2-(3-bromophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113336045

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide (CID 9442914) is 1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCOc2cccc(Br)c2)CC1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is ZCUICUNSNHJRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-12-2-1-3-13(10-12)19-9-8-17-6-4-11(5-7-17)14(16)18/h1-3,10-11H,4-9H2,(H2,16,18).
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide?
1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 9442914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).