2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone

C17H25N3O — CID 125005497

IUPAC2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCN(C)c1cc([C@H]2CCCN(C(=O)CC3CC3)C2)ccn1
InChIInChI=1S/C17H25N3O/c1-19(2)16-11-14(7-8-18-16)15-4-3-9-20(12-15)17(21)10-13-5-6-13/h7-8,11,13,15H,3-6,9-10,12H2,1-2H3/t15-/m0/s1
InChIKeyTZTXJPJLUBUTKZ-HNNXBMFYSA-N
MW287.41 g/mol
LogP2.65
Rot. Bonds4

About 2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone

2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 125005497) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
PubChem CID125005497
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCN(C)c1cc([C@H]2CCCN(C(=O)CC3CC3)C2)ccn1
InChIInChI=1S/C17H25N3O/c1-19(2)16-11-14(7-8-18-16)15-4-3-9-20(12-15)17(21)10-13-5-6-13/h7-8,11,13,15H,3-6,9-10,12H2,1-2H3/t15-/m0/s1
InChIKeyTZTXJPJLUBUTKZ-HNNXBMFYSA-N
XLogP2.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone
CID 95829584
[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124978147
3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 125023343
1,3-benzodioxol-5-yl-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124955424
[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 125027034
3-[3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 110105858
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
[3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 127246886
5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 124972441
N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110105853
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone
CID 125474294
2-cyclopropyl-1-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]ethanone
CID 124970546

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone (CID 125005497) is 2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone is CN(C)c1cc([C@H]2CCCN(C(=O)CC3CC3)C2)ccn1.
What is the InChIKey of 2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is TZTXJPJLUBUTKZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(2)16-11-14(7-8-18-16)15-4-3-9-20(12-15)17(21)10-13-5-6-13/h7-8,11,13,15H,3-6,9-10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone?
2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 287.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 125005497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).