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

C15H20BrFN2O2 — CID 119742392

IUPACN-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCc2ccc(F)c(Br)c2)CCNCC1
InChIInChI=1S/C15H20BrFN2O2/c1-21-15(5-8-18-9-6-15)14(20)19-7-4-11-2-3-13(17)12(16)10-11/h2-3,10,18H,4-9H2,1H3,(H,19,20)
InChIKeyUNZSZYOQDONSQO-UHFFFAOYSA-N
MW359.24 g/mol
LogP2.02
Rot. Bonds5

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

N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119742392) has the molecular formula C15H20BrFN2O2 and a molecular weight of 359.24 g/mol. Its IUPAC name is N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119742392
Molecular FormulaC15H20BrFN2O2
Molecular Weight359.24 g/mol
Exact Mass358.07
IUPAC NameN-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCc2ccc(F)c(Br)c2)CCNCC1
InChIInChI=1S/C15H20BrFN2O2/c1-21-15(5-8-18-9-6-15)14(20)19-7-4-11-2-3-13(17)12(16)10-11/h2-3,10,18H,4-9H2,1H3,(H,19,20)
InChIKeyUNZSZYOQDONSQO-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119722583
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708380
N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119677415
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119699598
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119697511
N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methylsulfonylcyclopropane-1-carboxamide
CID 166211002
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896389
N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide
CID 119783001
N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119746393
methyl N-[3-[2-(3-bromo-4-fluorophenyl)ethylamino]-3-oxopropyl]carbamate
CID 56783360

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide (CID 119742392) is N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCCc2ccc(F)c(Br)c2)CCNCC1.
What is the InChIKey of N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is UNZSZYOQDONSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O2/c1-21-15(5-8-18-9-6-15)14(20)19-7-4-11-2-3-13(17)12(16)10-11/h2-3,10,18H,4-9H2,1H3,(H,19,20).
What are the key properties of N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 359.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119742392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).