N-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide

C14H26N2O2S — CID 54910351

IUPACN-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide
SMILESCOCCN(C(=O)CC1CCNCC1)C1CCSC1
InChIInChI=1S/C14H26N2O2S/c1-18-8-7-16(13-4-9-19-11-13)14(17)10-12-2-5-15-6-3-12/h12-13,15H,2-11H2,1H3
InChIKeyZJZSBPLMBJCATR-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.36
Rot. Bonds6

About N-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide

N-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide (PubChem CID 54910351) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide
PubChem CID54910351
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide
SMILESCOCCN(C(=O)CC1CCNCC1)C1CCSC1
InChIInChI=1S/C14H26N2O2S/c1-18-8-7-16(13-4-9-19-11-13)14(17)10-12-2-5-15-6-3-12/h12-13,15H,2-11H2,1H3
InChIKeyZJZSBPLMBJCATR-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylthio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide
CID 71806108
N-(2-methoxyethyl)-3-{1-[3-(methylthio)propyl]-4-piperidinyl}propanamide
CID 25310534
N-(2-methoxyethyl)-3-{1-[(methylthio)acetyl]-4-piperidinyl}propanamide
CID 25379019
1-(2-methoxyethyl)-N-[3-(methylthio)propyl]-6-oxo-3-piperidinecarboxamide
CID 45182901
N-(2-methoxyethyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
CID 45192024
(+/-)-2-[(Acetylthio)methyl]-4-methyl-N-[2-(4-morpholinyl)ethyl]pentanamide
CID 13017558
2-Piperidin-4-yl-2-propan-2-ylsulfanyl-1-pyrrolidin-1-ylethanone
CID 57742773
2-[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-methyl-5-oxopentan-2-yl]sulfanyl-N-methylacetamide
CID 90196640
N-(1-methoxypropan-2-yl)-1-(1-sulfanylethyl)piperidine-4-carboxamide
CID 146388971
3-[1-(1,4-dithiepan-6-yl)-4-piperidinyl]-N-(2-methoxyethyl)propanamide
CID 26406558
3-(2-amino-2-oxoethyl)sulfanyl-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]propanamide
CID 30830141
3-(2-amino-2-oxoethyl)sulfanyl-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]propanamide
CID 30830142

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide (CID 54910351) is N-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide is COCCN(C(=O)CC1CCNCC1)C1CCSC1.
What is the InChIKey of N-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide?
The InChIKey is ZJZSBPLMBJCATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-18-8-7-16(13-4-9-19-11-13)14(17)10-12-2-5-15-6-3-12/h12-13,15H,2-11H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide?
N-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide has a molecular weight of 286.44 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 54910351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).