N-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide

C16H19N3O4S — CID 166309049

IUPACN-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide
SMILESCN(Cc1ccsc1)C(=O)C1CCN(C(=O)c2coc(=O)[nH]2)CC1
InChIInChI=1S/C16H19N3O4S/c1-18(8-11-4-7-24-10-11)14(20)12-2-5-19(6-3-12)15(21)13-9-23-16(22)17-13/h4,7,9-10,12H,2-3,5-6,8H2,1H3,(H,17,22)
InChIKeyHLABBDKCMUKBBM-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.54
Rot. Bonds4

About N-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide

N-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 166309049) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide
PubChem CID166309049
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide
SMILESCN(Cc1ccsc1)C(=O)C1CCN(C(=O)c2coc(=O)[nH]2)CC1
InChIInChI=1S/C16H19N3O4S/c1-18(8-11-4-7-24-10-11)14(20)12-2-5-19(6-3-12)15(21)13-9-23-16(22)17-13/h4,7,9-10,12H,2-3,5-6,8H2,1H3,(H,17,22)
InChIKeyHLABBDKCMUKBBM-UHFFFAOYSA-N
XLogP1.54
TPSA86.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide
CID 124852026
(3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 94181767
N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 66571403
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441613
N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 131957753
(3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
CID 35368613
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 66265185
N,3-dimethyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
CID 107067215
1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 32544635
2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66186907

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide (CID 166309049) is N-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide is CN(Cc1ccsc1)C(=O)C1CCN(C(=O)c2coc(=O)[nH]2)CC1.
What is the InChIKey of N-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HLABBDKCMUKBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-18(8-11-4-7-24-10-11)14(20)12-2-5-19(6-3-12)15(21)13-9-23-16(22)17-13/h4,7,9-10,12H,2-3,5-6,8H2,1H3,(H,17,22).
What are the key properties of N-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
N-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 166309049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).