(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone

C16H23N3O — CID 156604295

IUPAC(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CC(N)C(C3CC3)C2)c1
InChIInChI=1S/C16H23N3O/c1-18(2)13-5-3-4-12(8-13)16(20)19-9-14(11-6-7-11)15(17)10-19/h3-5,8,11,14-15H,6-7,9-10,17H2,1-2H3
InChIKeyGBNXCSZHEGUYOV-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.56
Rot. Bonds3

About (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone

(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone (PubChem CID 156604295) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
PubChem CID156604295
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CC(N)C(C3CC3)C2)c1
InChIInChI=1S/C16H23N3O/c1-18(2)13-5-3-4-12(8-13)16(20)19-9-14(11-6-7-11)15(17)10-19/h3-5,8,11,14-15H,6-7,9-10,17H2,1-2H3
InChIKeyGBNXCSZHEGUYOV-UHFFFAOYSA-N
XLogP1.56
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[3-(dimethylamino)phenyl]methanone
CID 43596235
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72901260
(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 156606440
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
[3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 95293500
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
4-[3-(dimethylamino)benzoyl]piperazine-2,6-dione
CID 66085493
[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584571

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone (CID 156604295) is (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone is CN(C)c1cccc(C(=O)N2CC(N)C(C3CC3)C2)c1.
What is the InChIKey of (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone?
The InChIKey is GBNXCSZHEGUYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18(2)13-5-3-4-12(8-13)16(20)19-9-14(11-6-7-11)15(17)10-19/h3-5,8,11,14-15H,6-7,9-10,17H2,1-2H3.
What are the key properties of (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone?
(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone has a molecular weight of 273.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 156604295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).