N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide

C13H26N2O2S — CID 114042076

IUPACN-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCSCC(C)NC(=O)C1(COC)CCNCC1
InChIInChI=1S/C13H26N2O2S/c1-4-18-9-11(2)15-12(16)13(10-17-3)5-7-14-8-6-13/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyAORFFTHFZXXVCA-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.26
Rot. Bonds7

About N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide

N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 114042076) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID114042076
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCSCC(C)NC(=O)C1(COC)CCNCC1
InChIInChI=1S/C13H26N2O2S/c1-4-18-9-11(2)15-12(16)13(10-17-3)5-7-14-8-6-13/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyAORFFTHFZXXVCA-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,5-dimethylhexan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634804
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120627696
N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637796
N-[1-(2,4-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617622
4-(methoxymethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 120624494
N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120637795
4-(methoxymethyl)-N-(3-phenylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120633881
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624559
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 120620296
4-(methoxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120621541

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide (CID 114042076) is N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide is CCSCC(C)NC(=O)C1(COC)CCNCC1.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is AORFFTHFZXXVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-4-18-9-11(2)15-12(16)13(10-17-3)5-7-14-8-6-13/h11,14H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 274.43 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 114042076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).