2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide

C16H29N3O3 — CID 108958733

IUPAC2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)C(=O)N1CCCCC1
InChIInChI=1S/C16H29N3O3/c1-16(2,15(21)19-7-4-3-5-8-19)14(20)17-6-9-18-10-12-22-13-11-18/h3-13H2,1-2H3,(H,17,20)
InChIKeyVDBLNDJXUJJWGU-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.47
Rot. Bonds5

About 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide

2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide (PubChem CID 108958733) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide
PubChem CID108958733
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)C(=O)N1CCCCC1
InChIInChI=1S/C16H29N3O3/c1-16(2,15(21)19-7-4-3-5-8-19)14(20)17-6-9-18-10-12-22-13-11-18/h3-13H2,1-2H3,(H,17,20)
InChIKeyVDBLNDJXUJJWGU-UHFFFAOYSA-N
XLogP0.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide
CID 108960403
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108960416
(2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 7375443
2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
CID 3533686
3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108960243
N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960486
2-(2-morpholin-4-ylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083600
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960434
(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120691
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108960459
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide?
The IUPAC name of 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide (CID 108958733) is 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide is CC(C)(C(=O)NCCN1CCOCC1)C(=O)N1CCCCC1.
What is the InChIKey of 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide?
The InChIKey is VDBLNDJXUJJWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(2,15(21)19-7-4-3-5-8-19)14(20)17-6-9-18-10-12-22-13-11-18/h3-13H2,1-2H3,(H,17,20).
What are the key properties of 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide?
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 108958733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).