N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C16H27ClN2O2S — CID 120621945

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2cc(C)sc2C)CCNCC1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-11-9-14(13(3)21-11)12(2)18-15(19)16(10-20-4)5-7-17-8-6-16;/h9,12,17H,5-8,10H2,1-4H3,(H,18,19);1H
InChIKeyJQVSCVTUXMLJCR-UHFFFAOYSA-N
MW346.92 g/mol
LogP2.98
Rot. Bonds5

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120621945) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120621945
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2cc(C)sc2C)CCNCC1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-11-9-14(13(3)21-11)12(2)18-15(19)16(10-20-4)5-7-17-8-6-16;/h9,12,17H,5-8,10H2,1-4H3,(H,18,19);1H
InChIKeyJQVSCVTUXMLJCR-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624559
N-[1-(2,4-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617622
N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617899
1-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide
CID 81489633
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634609
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637838
1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119287417
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 54910487
N-(5,5-dimethylhexan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634804
4-(methoxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120621541
4-(methoxymethyl)-N-(3-phenylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120633881

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120621945) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NC(C)c2cc(C)sc2C)CCNCC1.Cl.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is JQVSCVTUXMLJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S.ClH/c1-11-9-14(13(3)21-11)12(2)18-15(19)16(10-20-4)5-7-17-8-6-16;/h9,12,17H,5-8,10H2,1-4H3,(H,18,19);1H.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 346.92 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).