3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide

C18H33N3O3 — CID 159541365

IUPAC3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide
SMILESCCC(=O)CCCNC(=O)CCNC(=O)CN1C(C)CCCC1C
InChIInChI=1S/C18H33N3O3/c1-4-16(22)9-6-11-19-17(23)10-12-20-18(24)13-21-14(2)7-5-8-15(21)3/h14-15H,4-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyCRFNXMOVMPWCNO-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.63
Rot. Bonds10

About 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide

3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide (PubChem CID 159541365) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide.

Molecular Properties

Compound Name3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide
PubChem CID159541365
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide
SMILESCCC(=O)CCCNC(=O)CCNC(=O)CN1C(C)CCCC1C
InChIInChI=1S/C18H33N3O3/c1-4-16(22)9-6-11-19-17(23)10-12-20-18(24)13-21-14(2)7-5-8-15(21)3/h14-15H,4-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyCRFNXMOVMPWCNO-UHFFFAOYSA-N
XLogP1.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide?
The IUPAC name of 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide (CID 159541365) is 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide.
What is the SMILES notation for 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide?
The canonical SMILES for 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide is CCC(=O)CCCNC(=O)CCNC(=O)CN1C(C)CCCC1C.
What is the InChIKey of 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide?
The InChIKey is CRFNXMOVMPWCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-4-16(22)9-6-11-19-17(23)10-12-20-18(24)13-21-14(2)7-5-8-15(21)3/h14-15H,4-13H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide?
3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide has a molecular weight of 339.48 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide is sourced from PubChem (CID 159541365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).