(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone

C16H19N3O — CID 166209446

IUPAC(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(-n3ccnc3)c2)CC1
InChIInChI=1S/C16H19N3O/c1-13-5-8-18(9-6-13)16(20)14-3-2-4-15(11-14)19-10-7-17-12-19/h2-4,7,10-13H,5-6,8-9H2,1H3
InChIKeyUDVKRKBZILWGJI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.74
Rot. Bonds2

About (3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone

(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 166209446) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID166209446
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(-n3ccnc3)c2)CC1
InChIInChI=1S/C16H19N3O/c1-13-5-8-18(9-6-13)16(20)14-3-2-4-15(11-14)19-10-7-17-12-19/h2-4,7,10-13H,5-6,8-9H2,1H3
InChIKeyUDVKRKBZILWGJI-UHFFFAOYSA-N
XLogP2.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 111561042
(3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone
CID 164591408
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 124691868
(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 122147578
2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 4266311
(1R,2R,6S,7S)-4-[3-(4-methylpiperidine-1-carbonyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 1217050
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 95313622
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 7686080
3-(4-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 24698917
1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 39314575
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826

Frequently Asked Questions

What is the IUPAC name of (3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone (CID 166209446) is (3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccc(-n3ccnc3)c2)CC1.
What is the InChIKey of (3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UDVKRKBZILWGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-13-5-8-18(9-6-13)16(20)14-3-2-4-15(11-14)19-10-7-17-12-19/h2-4,7,10-13H,5-6,8-9H2,1H3.
What are the key properties of (3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone?
(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 166209446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).