2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide

C16H29N3O3 — CID 108518454

IUPAC2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
SMILESCC1CCCC(C)N1C(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H29N3O3/c1-13-5-3-6-14(2)19(13)16(21)15(20)17-7-4-8-18-9-11-22-12-10-18/h13-14H,3-12H2,1-2H3,(H,17,20)
InChIKeyILGCVXPUGXCCGN-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.61
Rot. Bonds4

About 2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide

2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide (PubChem CID 108518454) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
PubChem CID108518454
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
SMILESCC1CCCC(C)N1C(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H29N3O3/c1-13-5-3-6-14(2)19(13)16(21)15(20)17-7-4-8-18-9-11-22-12-10-18/h13-14H,3-12H2,1-2H3,(H,17,20)
InChIKeyILGCVXPUGXCCGN-UHFFFAOYSA-N
XLogP0.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108504537
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
2-amino-6-methyl-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 62781177
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108504184
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide
CID 123810381
N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518511
N-(3-morpholin-4-ylpropyl)-N'-(piperidine-4-carbonyl)oxamide
CID 108518524
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
CID 43558668
CID 43558668

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide?
The IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide (CID 108518454) is 2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide.
What is the SMILES notation for 2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide?
The canonical SMILES for 2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide is CC1CCCC(C)N1C(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide?
The InChIKey is ILGCVXPUGXCCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-13-5-3-6-14(2)19(13)16(21)15(20)17-7-4-8-18-9-11-22-12-10-18/h13-14H,3-12H2,1-2H3,(H,17,20).
What are the key properties of 2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide?
2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide has a molecular weight of 311.43 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide is sourced from PubChem (CID 108518454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).