N-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide

C16H25N3O2S — CID 16887345

IUPACN-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESCCCNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H25N3O2S/c1-2-7-17-15(20)16(21)18-11-13-5-8-19(9-6-13)12-14-4-3-10-22-14/h3-4,10,13H,2,5-9,11-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyPBBAWNKMGRYRSH-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.60
Rot. Bonds6

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

N-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16887345) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16887345
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESCCCNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H25N3O2S/c1-2-7-17-15(20)16(21)18-11-13-5-8-19(9-6-13)12-14-4-3-10-22-14/h3-4,10,13H,2,5-9,11-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyPBBAWNKMGRYRSH-UHFFFAOYSA-N
XLogP1.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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'}

Analyze N-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide (CID 16887345) is N-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide is CCCNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is PBBAWNKMGRYRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-2-7-17-15(20)16(21)18-11-13-5-8-19(9-6-13)12-14-4-3-10-22-14/h3-4,10,13H,2,5-9,11-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
N-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 323.46 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16887345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).