N'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide

C18H27N3O3S — CID 71787144

IUPACN'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)C(=O)NCC1CCCO1
InChIInChI=1S/C18H27N3O3S/c22-17(18(23)20-13-15-3-1-11-24-15)19-7-10-21-8-5-14(6-9-21)16-4-2-12-25-16/h2,4,12,14-15H,1,3,5-11,13H2,(H,19,22)(H,20,23)
InChIKeyWMXGOTDXWDIBAV-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.34
Rot. Bonds6

About N'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide

N'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide (PubChem CID 71787144) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
PubChem CID71787144
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)C(=O)NCC1CCCO1
InChIInChI=1S/C18H27N3O3S/c22-17(18(23)20-13-15-3-1-11-24-15)19-7-10-21-8-5-14(6-9-21)16-4-2-12-25-16/h2,4,12,14-15H,1,3,5-11,13H2,(H,19,22)(H,20,23)
InChIKeyWMXGOTDXWDIBAV-UHFFFAOYSA-N
XLogP1.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-1-[(tetrahydrofuran-2-ylmethyl)(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3572262
N-cyclopentyl-1-[(tetrahydrofuran-2-ylmethyl)(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3964655
N-cyclohexyl-N~2~-(tetrahydrofuran-2-ylmethyl)-N~2~-(thiophen-2-ylacetyl)isovalinamide
CID 4233826
N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)-2-(2-thienyl)acetamide
CID 45202291
2-ethoxy-N-(2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)acetamide
CID 71787068
N'-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-[(thiophen-2-yl)methyl]ethanediamide
CID 16886685
N-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide
CID 2931908
N1-(2-methoxyethyl)-N2-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)oxalamide
CID 16887352
N1-(2-morpholinoethyl)-N2-((1-(thiophen-2-yl)cyclopentyl)methyl)oxalamide
CID 25882748
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 45811794
N-(oxolan-2-ylmethyl)-2-(2-thiophen-2-ylmorpholin-4-yl)acetamide
CID 132360684
N-[(4-fluorophenyl)methyl]-2-(oxolan-2-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide?
The IUPAC name of N'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide (CID 71787144) is N'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide?
The canonical SMILES for N'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide is O=C(NCCN1CCC(c2cccs2)CC1)C(=O)NCC1CCCO1.
What is the InChIKey of N'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide?
The InChIKey is WMXGOTDXWDIBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c22-17(18(23)20-13-15-3-1-11-24-15)19-7-10-21-8-5-14(6-9-21)16-4-2-12-25-16/h2,4,12,14-15H,1,3,5-11,13H2,(H,19,22)(H,20,23).
What are the key properties of N'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide?
N'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide has a molecular weight of 365.50 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxolan-2-ylmethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide is sourced from PubChem (CID 71787144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).