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

C12H17BrN2O2S — CID 119730034

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccc(Br)s2)CCNCC1
InChIInChI=1S/C12H17BrN2O2S/c1-17-12(4-6-14-7-5-12)11(16)15-8-9-2-3-10(13)18-9/h2-3,14H,4-8H2,1H3,(H,15,16)
InChIKeyUBBRBAKWAKXTSX-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.90
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119730034) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119730034
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccc(Br)s2)CCNCC1
InChIInChI=1S/C12H17BrN2O2S/c1-17-12(4-6-14-7-5-12)11(16)15-8-9-2-3-10(13)18-9/h2-3,14H,4-8H2,1H3,(H,15,16)
InChIKeyUBBRBAKWAKXTSX-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119699598
N-[(5-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623208
4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 119861868
N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119688975
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide
CID 81173121
N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119753686
N-[(5-bromothiophen-2-yl)methyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183015
4-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119712888
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119696231
N-[[4-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718289
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119292901

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide (CID 119730034) is N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCc2ccc(Br)s2)CCNCC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is UBBRBAKWAKXTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-17-12(4-6-14-7-5-12)11(16)15-8-9-2-3-10(13)18-9/h2-3,14H,4-8H2,1H3,(H,15,16).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 333.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119730034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).