2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one

C28H53N3O4 — CID 160642530

IUPAC2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCOCC1
InChIInChI=1S/C10H19NO.C9H17NO2.C9H17NO/c1-10(2,3)9(12)11-7-5-4-6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10/h4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyRJJCPYOVLPRWMI-UHFFFAOYSA-N
MW495.75 g/mol
LogP4.59
Rot. Bonds

About 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one

2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 160642530) has the molecular formula C28H53N3O4 and a molecular weight of 495.75 g/mol. Its IUPAC name is 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID160642530
Molecular FormulaC28H53N3O4
Molecular Weight495.75 g/mol
Exact Mass495.40
IUPAC Name2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCOCC1
InChIInChI=1S/C10H19NO.C9H17NO2.C9H17NO/c1-10(2,3)9(12)11-7-5-4-6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10/h4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyRJJCPYOVLPRWMI-UHFFFAOYSA-N
XLogP4.59
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.75
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

2,2-Dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
CID 118683615
2-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propanoyl}-8-methyl-2,8-diazaspiro[4.5]decane
CID 50956532
2,2-Dimethyl-1-[2-(piperidin-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 129255640
3,3-Dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane
CID 142393124
2,2-Dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane
CID 157334728
1-Morpholin-4-ylethanone;bis(1-piperidin-1-ylethanone)
CID 157357806
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide
CID 157393013
4-Tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one
CID 157573297
1-(Azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 158160489
1-Morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone
CID 158454355
2-Methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 159277060
1-(Azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane
CID 160285391

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one (CID 160642530) is 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one is CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCOCC1.
What is the InChIKey of 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is RJJCPYOVLPRWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C9H17NO2.C9H17NO/c1-10(2,3)9(12)11-7-5-4-6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10/h4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one?
2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 495.75 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 160642530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).