N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide

C13H19BrN2O2S — CID 119699598

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCc2ccc(Br)s2)CCNCC1
InChIInChI=1S/C13H19BrN2O2S/c1-18-13(5-8-15-9-6-13)12(17)16-7-4-10-2-3-11(14)19-10/h2-3,15H,4-9H2,1H3,(H,16,17)
InChIKeyUCQFTHPPGDTVAS-UHFFFAOYSA-N
MW347.28 g/mol
LogP1.94
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119699598) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119699598
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCc2ccc(Br)s2)CCNCC1
InChIInChI=1S/C13H19BrN2O2S/c1-18-13(5-8-15-9-6-13)12(17)16-7-4-10-2-3-11(14)19-10/h2-3,15H,4-9H2,1H3,(H,16,17)
InChIKeyUCQFTHPPGDTVAS-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119730034
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119742392
N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119688975
N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119722583
N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907117
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896020
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119891778
N-[(5-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623208
N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide
CID 115171594
N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119677415
N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119746393

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide (CID 119699598) is N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCCc2ccc(Br)s2)CCNCC1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is UCQFTHPPGDTVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-18-13(5-8-15-9-6-13)12(17)16-7-4-10-2-3-11(14)19-10/h2-3,15H,4-9H2,1H3,(H,16,17).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 347.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119699598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).