N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide

C18H30N2O2S — CID 50976231

IUPACN-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCOCCN(Cc1sccc1C)C(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C18H30N2O2S/c1-14(2)19-8-5-16(6-9-19)18(21)20(10-11-22-4)13-17-15(3)7-12-23-17/h7,12,14,16H,5-6,8-11,13H2,1-4H3
InChIKeyLXJYCDXFANCEHO-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.15
Rot. Bonds7

About N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide

N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 50976231) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID50976231
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC NameN-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCOCCN(Cc1sccc1C)C(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C18H30N2O2S/c1-14(2)19-8-5-16(6-9-19)18(21)20(10-11-22-4)13-17-15(3)7-12-23-17/h7,12,14,16H,5-6,8-11,13H2,1-4H3
InChIKeyLXJYCDXFANCEHO-UHFFFAOYSA-N
XLogP3.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)butanamide
CID 16194567
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclopropanecarboxamide
CID 16195026
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylthiophen-3-yl)-methanone
CID 11544608
N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclohexanecarboxamide
CID 5310438
2,2-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)propanamide
CID 16194562
3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162623
N-(2-methoxyethyl)-6-methyl-N-[(3-methyl-2-thienyl)methyl]-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 50955298
2-methyl-N-(1-methyl-2-morpholin-4-yl-2-thien-2-ylethyl)propanamide
CID 3235708
Cambridge id 6578772
CID 2187048
N-[2-(4-morpholinyl)-2-(2-thienyl)ethyl]propanamide
CID 2998106
Cambridge id 6579821
CID 30137476

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 50976231) is N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide is COCCN(Cc1sccc1C)C(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is LXJYCDXFANCEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-14(2)19-8-5-16(6-9-19)18(21)20(10-11-22-4)13-17-15(3)7-12-23-17/h7,12,14,16H,5-6,8-11,13H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 338.52 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 50976231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).