1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone

C13H18N2O — CID 143781078

IUPAC1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
SMILESCN(C)C(C(=O)N1CCC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-14(2)12(11-7-4-3-5-8-11)13(16)15-9-6-10-15/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyFVHOSRTXCYZMCX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.52
Rot. Bonds3

About 1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone

1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone (PubChem CID 143781078) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
PubChem CID143781078
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
SMILESCN(C)C(C(=O)N1CCC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-14(2)12(11-7-4-3-5-8-11)13(16)15-9-6-10-15/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyFVHOSRTXCYZMCX-UHFFFAOYSA-N
XLogP1.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 133161882
1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110611656
2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone
CID 110614924
2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone
CID 110607741
(2S)-1-(4-acetyl-1,4-diazepan-1-yl)-2-(dimethylamino)-2-(3-fluorophenyl)ethanone
CID 97193247
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
(2S)-1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(dimethylamino)-2-phenylethanone
CID 124611587
2-[methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]-N-propan-2-ylacetamide
CID 8913700
2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110608314
(2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone
CID 95737408
(2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 95734813
N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride
CID 119480715

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone (CID 143781078) is 1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone is CN(C)C(C(=O)N1CCC1)c1ccccc1.
What is the InChIKey of 1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone?
The InChIKey is FVHOSRTXCYZMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-14(2)12(11-7-4-3-5-8-11)13(16)15-9-6-10-15/h3-5,7-8,12H,6,9-10H2,1-2H3.
What are the key properties of 1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone?
1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone has a molecular weight of 218.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone is sourced from PubChem (CID 143781078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).