N-[(1-propan-2-ylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide

C16H25N3O2S — CID 16886600

IUPACN-[(1-propan-2-ylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESCC(C)N1CCC(CNC(=O)C(=O)NCc2cccs2)CC1
InChIInChI=1S/C16H25N3O2S/c1-12(2)19-7-5-13(6-8-19)10-17-15(20)16(21)18-11-14-4-3-9-22-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyYEOVPSRMTKAOQR-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.60
Rot. Bonds5

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

N-[(1-propan-2-ylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide (PubChem CID 16886600) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
PubChem CID16886600
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESCC(C)N1CCC(CNC(=O)C(=O)NCc2cccs2)CC1
InChIInChI=1S/C16H25N3O2S/c1-12(2)19-7-5-13(6-8-19)10-17-15(20)16(21)18-11-14-4-3-9-22-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyYEOVPSRMTKAOQR-UHFFFAOYSA-N
XLogP1.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide (CID 16886600) is N-[(1-propan-2-ylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide is CC(C)N1CCC(CNC(=O)C(=O)NCc2cccs2)CC1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide?
The InChIKey is YEOVPSRMTKAOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-12(2)19-7-5-13(6-8-19)10-17-15(20)16(21)18-11-14-4-3-9-22-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide?
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide has a molecular weight of 323.46 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 16886600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).