N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride

C12H18Cl2N2OS — CID 119944666

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCc2ccc(Cl)s2)CCCNC1.Cl
InChIInChI=1S/C12H17ClN2OS.ClH/c1-12(5-2-6-14-8-12)11(16)15-7-9-3-4-10(13)17-9;/h3-4,14H,2,5-8H2,1H3,(H,15,16);1H
InChIKeyGOWRZMQAHUEYNK-UHFFFAOYSA-N
MW309.26 g/mol
LogP2.83
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride

N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119944666) has the molecular formula C12H18Cl2N2OS and a molecular weight of 309.26 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119944666
Molecular FormulaC12H18Cl2N2OS
Molecular Weight309.26 g/mol
Exact Mass308.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCc2ccc(Cl)s2)CCCNC1.Cl
InChIInChI=1S/C12H17ClN2OS.ClH/c1-12(5-2-6-14-8-12)11(16)15-7-9-3-4-10(13)17-9;/h3-4,14H,2,5-8H2,1H3,(H,15,16);1H
InChIKeyGOWRZMQAHUEYNK-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946201
N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63134873
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
CID 106896221
3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119944291
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide
CID 115437904
2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829545
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride (CID 119944666) is N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride is CC1(C(=O)NCc2ccc(Cl)s2)CCCNC1.Cl.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is GOWRZMQAHUEYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS.ClH/c1-12(5-2-6-14-8-12)11(16)15-7-9-3-4-10(13)17-9;/h3-4,14H,2,5-8H2,1H3,(H,15,16);1H.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 309.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119944666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).