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

C16H23N3O2S — CID 16887396

IUPACN'-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCC1CCN(Cc2cccs2)CC1)C(=O)NC1CC1
InChIInChI=1S/C16H23N3O2S/c20-15(16(21)18-13-3-4-13)17-10-12-5-7-19(8-6-12)11-14-2-1-9-22-14/h1-2,9,12-13H,3-8,10-11H2,(H,17,20)(H,18,21)
InChIKeySRHJMMBHWQJPHB-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.35
Rot. Bonds5

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

N'-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16887396) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N'-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16887396
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN'-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCC1CCN(Cc2cccs2)CC1)C(=O)NC1CC1
InChIInChI=1S/C16H23N3O2S/c20-15(16(21)18-13-3-4-13)17-10-12-5-7-19(8-6-12)11-14-2-1-9-22-14/h1-2,9,12-13H,3-8,10-11H2,(H,17,20)(H,18,21)
InChIKeySRHJMMBHWQJPHB-UHFFFAOYSA-N
XLogP1.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.35
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'-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide (CID 16887396) is N'-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide is O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is SRHJMMBHWQJPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c20-15(16(21)18-13-3-4-13)17-10-12-5-7-19(8-6-12)11-14-2-1-9-22-14/h1-2,9,12-13H,3-8,10-11H2,(H,17,20)(H,18,21).
What are the key properties of N'-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
N'-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 321.45 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16887396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).