[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone

C16H20N4O — CID 124691868

IUPAC[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
SMILESC[C@@H]1C[C@@H](N)CCN1C(=O)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C16H20N4O/c1-12-9-14(17)5-7-20(12)16(21)13-3-2-4-15(10-13)19-8-6-18-11-19/h2-4,6,8,10-12,14H,5,7,9,17H2,1H3/t12-,14+/m1/s1
InChIKeyFSUVVGMIOJYYIJ-OCCSQVGLSA-N
MW284.36 g/mol
LogP1.82
Rot. Bonds2

About [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone

[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone (PubChem CID 124691868) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
PubChem CID124691868
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
SMILESC[C@@H]1C[C@@H](N)CCN1C(=O)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C16H20N4O/c1-12-9-14(17)5-7-20(12)16(21)13-3-2-4-15(10-13)19-8-6-18-11-19/h2-4,6,8,10-12,14H,5,7,9,17H2,1H3/t12-,14+/m1/s1
InChIKeyFSUVVGMIOJYYIJ-OCCSQVGLSA-N
XLogP1.82
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 124694662
(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 166209446
(4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
CID 122149167
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 111561042
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124691848
(4-amino-2-methylpiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 122149100
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 124690212
(3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone
CID 164591408
(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 47159866
(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 122147578
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 124692654
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 124692681

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone?
The IUPAC name of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone (CID 124691868) is [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone.
What is the SMILES notation for [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone?
The canonical SMILES for [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone is C[C@@H]1C[C@@H](N)CCN1C(=O)c1cccc(-n2ccnc2)c1.
What is the InChIKey of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone?
The InChIKey is FSUVVGMIOJYYIJ-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-9-14(17)5-7-20(12)16(21)13-3-2-4-15(10-13)19-8-6-18-11-19/h2-4,6,8,10-12,14H,5,7,9,17H2,1H3/t12-,14+/m1/s1.
What are the key properties of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone?
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone has a molecular weight of 284.36 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone is sourced from PubChem (CID 124691868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).