1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one

C24H45N3O3 — CID 163844566

IUPAC1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N1CCC1.CC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCCCC1
InChIInChI=1S/C9H17NO.C8H15NO.C7H13NO/c1-8(2)9(11)10-6-4-3-5-7-10;1-7(2)8(10)9-5-3-4-6-9;1-6(2)7(9)8-4-3-5-8/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyOOZQGSAWSMNYBZ-UHFFFAOYSA-N
MW423.64 g/mol
LogP3.79
Rot. Bonds3

About 1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one

1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 163844566) has the molecular formula C24H45N3O3 and a molecular weight of 423.64 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID163844566
Molecular FormulaC24H45N3O3
Molecular Weight423.64 g/mol
Exact Mass423.35
IUPAC Name1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N1CCC1.CC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCCCC1
InChIInChI=1S/C9H17NO.C8H15NO.C7H13NO/c1-8(2)9(11)10-6-4-3-5-7-10;1-7(2)8(10)9-5-3-4-6-9;1-6(2)7(9)8-4-3-5-8/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyOOZQGSAWSMNYBZ-UHFFFAOYSA-N
XLogP3.79
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.64
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
2-methyl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 61072901
1-(azepan-1-yl)-2-methylpropan-1-one;1-(azetidin-1-yl)-2-methylpropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one;1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one;tris(2-methyl-1-piperidin-1-ylpropan-1-one);2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 160929115
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane
CID 158658262
1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 107224856
N-cyclohexyl-N,2-dimethylpropanamide;ethane;2-methyl-1-piperidin-1-ylpropan-1-one
CID 159813706
2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one
CID 13148116
2-methyl-3-(methylamino)-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119738900

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one (CID 163844566) is 1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one is CC(C)C(=O)N1CCC1.CC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCCCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is OOZQGSAWSMNYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C8H15NO.C7H13NO/c1-8(2)9(11)10-6-4-3-5-7-10;1-7(2)8(10)9-5-3-4-6-9;1-6(2)7(9)8-4-3-5-8/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 423.64 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 163844566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).