2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one

C25H47N3O4 — CID 162226913

IUPAC2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C9H17NO.C8H15NO2.C8H15NO/c1-8(2)9(11)10-6-4-3-5-7-10;1-7(2)8(10)9-3-5-11-6-4-9;1-7(2)8(10)9-5-3-4-6-9/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyZUWRIIZINNLCCG-UHFFFAOYSA-N
MW453.67 g/mol
LogP3.42
Rot. Bonds3

About 2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one

2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 162226913) has the molecular formula C25H47N3O4 and a molecular weight of 453.67 g/mol. Its IUPAC name is 2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID162226913
Molecular FormulaC25H47N3O4
Molecular Weight453.67 g/mol
Exact Mass453.36
IUPAC Name2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C9H17NO.C8H15NO2.C8H15NO/c1-8(2)9(11)10-6-4-3-5-7-10;1-7(2)8(10)9-3-5-11-6-4-9;1-7(2)8(10)9-5-3-4-6-9/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyZUWRIIZINNLCCG-UHFFFAOYSA-N
XLogP3.42
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.67
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

(4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 164636298
(4S)-1-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 164639742
2-Methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
CID 58333431
4-{[(3S,5R)-1-isobutyl-5-(1-pyrrolidinylcarbonyl)-3-piperidinyl]methyl}morpholine
CID 56860189
N,N-bis(2-methyl-4-morpholin-4-ylbutyl)acetamide
CID 10595293
1-[4-(Morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
3-Methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110284682
3,3-Dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane
CID 142393124
1-ethyl-N,N-dimethylpiperidine-4-carboxamide;4-ethylmorpholine
CID 144022551
Ethane;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 144326204
(1-Tert-butylpiperidin-4-yl)-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 146256273
Ethane;2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 153629392

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one (CID 162226913) is 2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one is CC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZUWRIIZINNLCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C8H15NO2.C8H15NO/c1-8(2)9(11)10-6-4-3-5-7-10;1-7(2)8(10)9-3-5-11-6-4-9;1-7(2)8(10)9-5-3-4-6-9/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 453.67 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 162226913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).