1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone

C14H20N2O — CID 174895598

IUPAC1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
SMILESCN(C)[C@@H]1CCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-15(2)13-8-9-16(11-13)14(17)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m1/s1
InChIKeyYTIMZTPUUJJQJD-CYBMUJFWSA-N
MW232.33 g/mol
LogP1.39
Rot. Bonds3

About 1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone

1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone (PubChem CID 174895598) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
PubChem CID174895598
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
SMILESCN(C)[C@@H]1CCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-15(2)13-8-9-16(11-13)14(17)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m1/s1
InChIKeyYTIMZTPUUJJQJD-CYBMUJFWSA-N
XLogP1.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4S)-4-(dimethylamino)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 95724805
1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 78946629
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
N-cycloheptyl-N-methyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607775
2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde
CID 59664797
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 114801701
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900175
1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-2-[1-(2-phenylacetyl)piperidin-4-yl]ethanone
CID 92633659
1-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-[1-(2-phenylacetyl)piperidin-4-yl]ethanone
CID 110246207
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone (CID 174895598) is 1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone is CN(C)[C@@H]1CCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone?
The InChIKey is YTIMZTPUUJJQJD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15(2)13-8-9-16(11-13)14(17)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone?
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 232.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 174895598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).