N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide

C15H21BrN2O3 — CID 119746393

IUPACN-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCOc2cccc(Br)c2)CCNCC1
InChIInChI=1S/C15H21BrN2O3/c1-20-15(5-7-17-8-6-15)14(19)18-9-10-21-13-4-2-3-12(16)11-13/h2-4,11,17H,5-10H2,1H3,(H,18,19)
InChIKeyUTICANQKFKKFDC-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.71
Rot. Bonds6

About N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide

N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119746393) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119746393
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCOc2cccc(Br)c2)CCNCC1
InChIInChI=1S/C15H21BrN2O3/c1-20-15(5-7-17-8-6-15)14(19)18-9-10-21-13-4-2-3-12(16)11-13/h2-4,11,17H,5-10H2,1H3,(H,18,19)
InChIKeyUTICANQKFKKFDC-UHFFFAOYSA-N
XLogP1.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 119694181
N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119734944
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119786297
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119735567
N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623811
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119845776
N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119796446
N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120631171
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate
CID 119787129
4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide
CID 119844483

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide (CID 119746393) is N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCCOc2cccc(Br)c2)CCNCC1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is UTICANQKFKKFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-20-15(5-7-17-8-6-15)14(19)18-9-10-21-13-4-2-3-12(16)11-13/h2-4,11,17H,5-10H2,1H3,(H,18,19).
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide?
N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 357.25 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119746393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).