N-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide

C13H24N2O2S — CID 54871367

IUPACN-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide
SMILESCOCCN(C(=O)C1CCNCC1)C1CCSC1
InChIInChI=1S/C13H24N2O2S/c1-17-8-7-15(12-4-9-18-10-12)13(16)11-2-5-14-6-3-11/h11-12,14H,2-10H2,1H3
InChIKeyLQBIVQXEWGBUFQ-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.97
Rot. Bonds5

About N-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide

N-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide (PubChem CID 54871367) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide
PubChem CID54871367
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide
SMILESCOCCN(C(=O)C1CCNCC1)C1CCSC1
InChIInChI=1S/C13H24N2O2S/c1-17-8-7-15(12-4-9-18-10-12)13(16)11-2-5-14-6-3-11/h11-12,14H,2-10H2,1H3
InChIKeyLQBIVQXEWGBUFQ-UHFFFAOYSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.97
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
3-Morpholino-4-morpholinocarbonylmethylthiolane
CID 129799793
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
N-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide
CID 135224948
N-(1-methoxypropan-2-yl)-1-(1-sulfanylethyl)piperidine-4-carboxamide
CID 146388971
1-(2,2-dimethylpropanoyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide
CID 17224348
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
3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
CID 42951640

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide (CID 54871367) is N-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide is COCCN(C(=O)C1CCNCC1)C1CCSC1.
What is the InChIKey of N-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide?
The InChIKey is LQBIVQXEWGBUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-17-8-7-15(12-4-9-18-10-12)13(16)11-2-5-14-6-3-11/h11-12,14H,2-10H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide?
N-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide has a molecular weight of 272.41 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 54871367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).