propan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate

C15H22N2O2S — CID 7418681

IUPACpropan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate
SMILESCC1CCN(/C(=N/C(=O)c2cccs2)OC(C)C)CC1
InChIInChI=1S/C15H22N2O2S/c1-11(2)19-15(17-8-6-12(3)7-9-17)16-14(18)13-5-4-10-20-13/h4-5,10-12H,6-9H2,1-3H3/b16-15-
InChIKeyJRVHMORXPMMQIR-NXVVXOECSA-N
MW294.42 g/mol
LogP3.40
Rot. Bonds2

About propan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate

propan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate (PubChem CID 7418681) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is propan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate.

Molecular Properties

Compound Namepropan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate
PubChem CID7418681
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Namepropan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate
SMILESCC1CCN(/C(=N/C(=O)c2cccs2)OC(C)C)CC1
InChIInChI=1S/C15H22N2O2S/c1-11(2)19-15(17-8-6-12(3)7-9-17)16-14(18)13-5-4-10-20-13/h4-5,10-12H,6-9H2,1-3H3/b16-15-
InChIKeyJRVHMORXPMMQIR-NXVVXOECSA-N
XLogP3.40
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate
CID 7287913
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 78795769
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 7416764
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
(2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 93208442
(2R)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 93208441
N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24540042
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 82242378
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
CID 111112713
2-(4-methylazepan-1-yl)-1-thiophen-2-ylethanone
CID 63622264
1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone
CID 75981057

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate?
The IUPAC name of propan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate (CID 7418681) is propan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate.
What is the SMILES notation for propan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate?
The canonical SMILES for propan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate is CC1CCN(/C(=N/C(=O)c2cccs2)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate?
The InChIKey is JRVHMORXPMMQIR-NXVVXOECSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(2)19-15(17-8-6-12(3)7-9-17)16-14(18)13-5-4-10-20-13/h4-5,10-12H,6-9H2,1-3H3/b16-15-.
What are the key properties of propan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate?
propan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate has a molecular weight of 294.42 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate is sourced from PubChem (CID 7418681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).